K31440, Antagonist of CRF 2 receptor, CAS No.434938-37-1, Antagonist of CRF 2 receptor

CAS: 434938-37-1 Cat. No.: rp174402

GRADE & PURITY Moligand™

Specifications

Product Name

K31440, Antagonist of CRF 2 receptor, CAS No.434938-37-1

同義語

Ac-(D-Tyr¹¹,His¹²,Nle¹⁷)sauvagine(11-40);K 31440;K-31440

等級

Moligand™

仕様と純度

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of CRF 2 receptor

CAS

434938-37-1

分子タイプ

ペプチド

保管と配送

保管条件

Room temperature

関連ターゲット（人間）

CRHR2 Tchem Corticotropin-releasing factor receptor 2 (0 Activities)

Discover Target: CRHR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

遺伝情報

• Alternate Names: Ac-(D-Tyr¹¹,His¹²,Nle¹⁷)sauvagine(11-40);K 31440;K-31440
• Reference:
  • 1. Kinetics and inhibition of recombinant human cystathionine gamma-lyase. Toward the rational control of transsulfuration., The Journal of biological chemistry, Steegborn, C C and 7 more authors.
  • 2. Generation and initial analysis of more than 15,000 full-length human and mouse cDNA sequences., Proceedings of the National Academy of Sciences of the United States of America, Strausberg, Robert L RL and 83 more authors.
  • 3. Genomic basis of cystathioninuria (MIM 219500) revealed by multiple mutations in cystathionine gamma-lyase (CTH)., Human genetics, Wang, Jian J and Hegele, Robert A RA.
  • 4. Cloning and nucleotide sequence of human liver cDNA encoding for cystathionine gamma-lyase., Biochemical and biophysical research communications, Lu, Y Y, O'Dowd, B F BF, Orrego, H H and Israel, Y Y.
  • 5. Single nucleotide polymorphism in CTH associated with variation in plasma homocysteine concentration., Clinical genetics, Wang, J J, Huff, A M AM, Spence, J D JD and Hegele, R A RA.
  • 6. Cystathionine gamma-lyase overexpression inhibits cell proliferation via a H2S-dependent modulation of ERK1/2 phosphorylation and p21Cip/WAK-1., The Journal of biological chemistry, Yang, Guangdong G, Cao, Kun K, Wu, Lingyun L and Wang, Rui R.
  • 7. The status, quality, and expansion of the NIH full-length cDNA project: the Mammalian Gene Collection (MGC)., Genome research, Gerhard, Daniela S DS and 115 more authors.
  • 8. Towards a proteome-scale map of the human protein-protein interaction network., Nature, Rual, Jean-François JF and 37 more authors.
  • 9. The DNA sequence and biological annotation of human chromosome 1., Nature, Gregory, S G SG and 178 more authors.
  • 10. Polymorphisms in one-carbon metabolism and trans-sulfuration pathway genes and susceptibility to bladder cancer., International journal of cancer, Moore, Lee E LE and 14 more authors. more
  • 11. Toward a confocal subcellular atlas of the human proteome., Molecular & cellular proteomics : MCP, Barbe, Laurent L and 10 more authors.
  • 12. Kinetic properties of polymorphic variants and pathogenic mutants in human cystathionine gamma-lyase., Biochemistry, Zhu, Weidong W, Lin, Alexander A and Banerjee, Ruma R.
  • 13. Pathway-based evaluation of 380 candidate genes and lung cancer susceptibility suggests the importance of the cell cycle pathway., Carcinogenesis, Hosgood, H Dean HD and 12 more authors.
  • 14. Relationship between cystathionine gamma-lyase gene polymorphism and essential hypertension in Northern Chinese Han population., Chinese medical journal, Li, Yun Y and 8 more authors.
  • 15. Active cystathionine beta-synthase can be expressed in heme-free systems in the presence of metal-substituted porphyrins or a chemical chaperone., The Journal of biological chemistry, Majtan, Tomas T, Singh, Laishram R LR, Wang, Liqun L, Kruger, Warren D WD and Kraus, Jan P JP.
  • 16. MALDI-TOF MS genotyping of polymorphisms related to 1-carbon metabolism using common and mass-modified terminators., Clinical chemistry, Meyer, Klaus K, Fredriksen, Ase A and Ueland, Per Magne PM.
  • 17. Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S., The Journal of biological chemistry, Sun, Qingxiang Q and 10 more authors.
  • 18. Oral facial clefts and gene polymorphisms in metabolism of folate/one-carbon and vitamin A: a pathway-wide association study., Genetic epidemiology, Boyles, Abee L AL and 16 more authors.
  • 19. Large-scale proteomics and phosphoproteomics of urinary exosomes., Journal of the American Society of Nephrology : JASN, Gonzales, Patricia A PA and 7 more authors.
  • 20. An association study of 45 folate-related genes in spina bifida: Involvement of cubilin (CUBN) and tRNA aspartic acid methyltransferase 1 (TRDMT1)., Birth defects research. Part A, Clinical and molecular teratology, Franke, Barbara B and 7 more authors.
  • 21. Polymorphisms in innate immunity genes and lung cancer risk in Xuanwei, China., Environmental and molecular mutagenesis, Shen, Min M and 12 more authors.
  • 22. H2S biogenesis by human cystathionine gamma-lyase leads to the novel sulfur metabolites lanthionine and homolanthionine and is responsive to the grade of hyperhomocysteinemia., The Journal of biological chemistry, Chiku, Taurai T and 5 more authors.
  • 23. Variations in folate pathway genes are associated with unexplained female infertility., Fertility and sterility, Altmäe, Signe S and 7 more authors.
  • 24. Bile-acid-activated farnesoid X receptor regulates hydrogen sulfide production and hepatic microcirculation., World journal of gastroenterology, Renga, Barbara B, Mencarelli, Andrea A, Migliorati, Marco M, Distrutti, Eleonora E and Fiorucci, Stefano S.
  • 25. Cystathionine gamma-lyase: Clinical, metabolic, genetic, and structural studies., Molecular genetics and metabolism, Kraus, Jan P JP and 14 more authors.
  • 26. Relative contributions of cystathionine beta-synthase and gamma-cystathionase to H2S biogenesis via alternative trans-sulfuration reactions., The Journal of biological chemistry, Singh, Sangita S, Padovani, Dominique D, Leslie, Rachel A RA, Chiku, Taurai T and Banerjee, Ruma R.
  • 27. PTEN identified as important risk factor of chronic obstructive pulmonary disease., Respiratory medicine, Hosgood, H Dean HD, Menashe, Idan I, He, Xingzhou X, Chanock, Stephen S and Lan, Qing Q.
  • 28. Genetic susceptibility to distinct bladder cancer subphenotypes., European urology, Guey, Lin T LT and 18 more authors.
  • 29. Gene-centric association signals for lipids and apolipoproteins identified via the HumanCVD BeadChip., American journal of human genetics, Talmud, Philippa J PJ and 38 more authors.
  • 30. Integrative predictive model of coronary artery calcification in atherosclerosis., Circulation, McGeachie, Michael M and 13 more authors.
  • 31. Cystathionine beta-synthase 844Ins68 polymorphism is not associated with the levels of homocysteine and cysteine in an Indian population., Biomarkers : biochemical indicators of exposure, response, and susceptibility to chemicals, Kumar, Jitender J, Garg, Gaurav G, Karthikeyan, Ganesan G and Sengupta, Shantanu S.
  • 32. The expression and activity of cystathionine-γ-lyase and 3-mercaptopyruvate sulfurtransferase in human neoplastic cell lines., Amino acids, Jurkowska, Halina H, Placha, Wojciech W, Nagahara, Noriuki N and Wróbel, Maria M.
  • 33. Ancient origin of the CTH alelle carrying the c.200C>T (p.T67I) variant in patients with cystathioninuria., Clinical genetics, Espinós, C C and 8 more authors.
  • 34. Variation at the NFATC2 locus increases the risk of thiazolidinedione-induced edema in the Diabetes REduction Assessment with ramipril and rosiglitazone Medication (DREAM) study., Diabetes care, Bailey, Swneke D SD and 11 more authors.
  • 35. Maternal genes and facial clefts in offspring: a comprehensive search for genetic associations in two population-based cleft studies from Scandinavia., PloS one, Jugessur, Astanand A and 12 more authors.
  • 36. [Expression of cystathionine-γ-lyase/hydrogen sulfide pathway in CVB3-induced myocarditis in mice]., Zhongguo dang dai er ke za zhi = Chinese journal of contemporary pediatrics, Hua, Wang W and 6 more authors.
  • 37. Folate-metabolizing gene variants and pregnancy outcome of IVF., Reproductive biomedicine online, Laanpere, M M and 5 more authors.
  • 38. Specificity protein-1 as a critical regulator of human cystathionine gamma-lyase in smooth muscle cells., The Journal of biological chemistry, Yang, Guangdong G, Pei, Yanxi Y, Teng, Huajian H, Cao, Qiuhui Q and Wang, Rui R.
  • 39. Phylogenetic-based propagation of functional annotations within the Gene Ontology consortium., Briefings in bioinformatics, Gaudet, Pascale P, Livstone, Michael S MS, Lewis, Suzanna E SE and Thomas, Paul D PD.
  • 40. Expression of cystathionine β-synthase and cystathionine γ-lyase in human pregnant myometrium and their roles in the control of uterine contractility., PloS one, You, Xing-Ji XJ and 8 more authors.
  • 41. MicroRNA-21 represses human cystathionine gamma-lyase expression by targeting at specificity protein-1 in smooth muscle cells., Journal of cellular physiology, Yang, Guangdong G, Pei, Yanxi Y, Cao, Qiuhui Q and Wang, Rui R.
  • 42. H2S-Induced sulfhydration of the phosphatase PTP1B and its role in the endoplasmic reticulum stress response., Science signaling, Krishnan, Navasona N, Fu, Cexiong C, Pappin, Darryl J DJ and Tonks, Nicholas K NK.
  • 43. Characterization of hydrogen sulfide and its synthases, cystathionine β-synthase and cystathionine γ-lyase, in human prostatic tissue and cells., Urology, Guo, Hui H and 5 more authors.
  • 44. Sp1 is involved in regulation of cystathionine γ-lyase gene expression and biological function by PI3K/Akt pathway in human hepatocellular carcinoma cell lines., Cellular signalling, Yin, Peng P and 12 more authors.
  • 45. H₂S protects against pressure overload-induced heart failure via upregulation of endothelial nitric oxide synthase., Circulation, Kondo, Kazuhisa K and 14 more authors.
  • 46. Reduced cystathionine γ-lyase and increased miR-21 expression are associated with increased vascular resistance in growth-restricted pregnancies: hydrogen sulfide as a placental vasodilator., The American journal of pathology, Cindrova-Davies, Tereza T and 5 more authors.
  • 47. Dysregulation of hydrogen sulfide producing enzyme cystathionine γ-lyase contributes to maternal hypertension and placental abnormalities in preeclampsia., Circulation, Wang, Keqing K and 14 more authors.
  • 48. Regulation of cystathionine γ-lyase in mammalian cells by hypoxia., Biochemical genetics, Wang, Maoxian M, Guo, Zhanyun Z and Wang, Shilong S.
  • 49. A genome-wide association study of chemotherapy-induced alopecia in breast cancer patients., Breast cancer research : BCR, Chung, Suyoun S and 6 more authors.
  • 50. [Cystathionine γ-lyase]., Postepy higieny i medycyny doswiadczalnej (Online), Jurkowska, Halina H, Kaczor-Kamińska, Marta M, Bronowicka-Adamska, Patrycja P and Wróbel, Maria M.
  • 51. Decreased cystathionine-γ-lyase (CSE) activity in livers of type 1 diabetic rats and peripheral blood mononuclear cells (PBMC) of type 1 diabetic patients., The Journal of biological chemistry, Manna, Prasenjit P, Gungor, Neslihan N, McVie, Robert R and Jain, Sushil K SK.
  • 52. Hydrogen sulfide (H2S)/cystathionine γ-lyase (CSE) pathway contributes to the proliferation of hepatoma cells., Mutation research, Pan, Yan Y and 5 more authors.
  • 53. The cystathionine γ-lyase/hydrogen sulfide system maintains cellular glutathione status., The Biochemical journal, Lee, Zheng-Wei ZW, Low, Yi-Lian YL, Huang, Shufen S, Wang, Tianxiao T and Deng, Lih-Wen LW.
  • 54. The binding site for the transcription factor, NF-κB, on the cystathionine γ-lyase promoter is critical for LPS-induced cystathionine γ-lyase expression., International journal of molecular medicine, Wang, Maoxian M, Guo, Zhanyun Z and Wang, Shilong S.
  • 55. Regulation of cystathionine gamma-lyase/H₂S system and its pathological implication., Frontiers in bioscience (Landmark edition), Zhao, Kexin K, Li, Hongzhu H, Li, Shuangshuang S and Yang, Guangdong G.
  • 56. Dysregulation of hydrogen sulphide metabolism impairs oviductal transport of embryos., Nature communications, Ning, Nannan N and 5 more authors.
  • 57. Wnt/β-catenin signaling induces the transcription of cystathionine-γ-lyase, a stimulator of tumor in colon cancer., Cellular signalling, Fan, Kun K and 7 more authors.
  • 58. miRNA-30 family inhibition protects against cardiac ischemic injury by regulating cystathionine-γ-lyase expression., Antioxidants & redox signaling, Shen, Yaqi Y and 7 more authors.
  • 59. Role of the cystathionine γ lyase/hydrogen sulfide pathway in human melanoma progression., Pigment cell & melanoma research, Panza, Elisabetta E and 11 more authors.
  • 60. A proteome-scale map of the human interactome network., Cell, Rolland, Thomas T and 69 more authors.
  • 61. Neurodegeneration in Huntington's disease involves loss of cystathionine γ-lyase., Cell cycle (Georgetown, Tex.), Paul, Bindu D BD and Snyder, Solomon H SH.
  • 62. The importance of MTHFR, MTR, MTRR and CSE expression levels in Caucasian women with preeclampsia., European journal of obstetrics, gynecology, and reproductive biology, Seremak-Mrozikiewicz, Agnieszka A and 6 more authors.
  • 63. The importance of rs1021737 and rs482843 polymorphisms of cystathionine gamma-lyase in the etiology of preeclampsia in the Caucasian population., Ginekologia polska, Mrozikiewicz, Przemysław M PM and 8 more authors.
  • 64. Cystathionine γ-lyase, a H2S-generating enzyme, is a GPBAR1-regulated gene and contributes to vasodilation caused by secondary bile acids., American journal of physiology. Heart and circulatory physiology, Renga, Barbara B and 9 more authors.
  • 65. Correlation between the cystathionine-γ-lyase (CES) and the severity of peptic ulcer disease., African health sciences, Chen, Xiong X, Wan, Ying-Chun YC, Guo, Tao T, Xu, Can-Xia CX and Wang, Fen F.
  • 66. MPST but not CSE is the primary regulator of hydrogen sulfide production and function in the coronary artery., American journal of physiology. Heart and circulatory physiology, Kuo, Maggie M MM and 10 more authors.
  • 67. Transcriptional Regulation of Cystathionine-γ-Lyase in Endothelial Cells by NADPH Oxidase 4-Dependent Signaling., The Journal of biological chemistry, Mistry, Rajesh K RK and 8 more authors.
  • 68. LPS Up-Regulates Cystathionine γ -Lyase Gene Expression in Primary Human Macrophages via NF-κB/ERK Pathway., Inflammation & allergy drug targets, Badiei, Alireza A, Gieseg, Steven S, Davies, Sian S, Izani Othman, Mohd M and Bhatia, Madhav M.
  • 69. Radiation Exposure Promotes Hepatocarcinoma Cell Invasion through Epithelial Mesenchymal Transition Mediated by H2S/CSE Pathway., Radiation research, Pan, Yan Y, Zhou, Cuiping C, Yuan, Dexiao D, Zhang, Jianghong J and Shao, Chunlin C.
  • 70. Cystathionine γ-lyase(CSE)/hydrogen sulfide system is regulated by miR-216a and influences cholesterol efflux in macrophages via the PI3K/AKT/ABCA1 pathway., Biochemical and biophysical research communications, Gong, Duo D and 15 more authors.
  • 71. MicroRNA-186 promotes macrophage lipid accumulation and secretion of pro-inflammatory cytokines by targeting cystathionine γ-lyase in THP-1 macrophages., Atherosclerosis, Yao, Yan Y and 9 more authors.
  • 72. Cystathionine γ-lyase is expressed in human atherosclerotic plaque microvessels and is involved in micro-angiogenesis., Scientific reports, van den Born, J C JC and 5 more authors.
  • 73. Dichotomous effects of isomeric secondary amines containing an aromatic nitrile and nitro group on human aortic smooth muscle cells via inhibition of cystathionine-γ-lyase., Biochimie, Ji, Yajing Y and 6 more authors.
  • 74. Distinctive expression pattern of cystathionine-β-synthase and cystathionine-γ-lyase identifies mesenchymal stromal cells transition to mineralizing osteoblasts., Journal of cellular physiology, Gambari, Laura L and 6 more authors.
  • 75. Age-Dependent Allergic Asthma Development and Cystathionine Gamma-Lyase Deficiency., Antioxidants & redox signaling, Wang, Peipei P and 6 more authors.
  • 76. Augmented H2S production via cystathionine-beta-synthase upregulation plays a role in pregnancy-associated uterine vasodilation., Biology of reproduction, Sheibani, Lili L and 7 more authors.
  • 77. Total sulfane sulfur bioavailability reflects ethnic and gender disparities in cardiovascular disease., Redox biology, Rajpal, Saurabh S and 12 more authors.
  • 78. Oligo-capping: a simple method to replace the cap structure of eukaryotic mRNAs with oligoribonucleotides., Gene, Maruyama, K K and Sugano, S S.

Application Protocols

Validated application details are not provided for this item. The following are general, practical protocols for small-molecule screening compounds.

• DMSO stock preparation
  • Weigh compound quickly to minimize ambient moisture uptake.
  • Prepare 10–50 mM stocks in anhydrous DMSO; vortex and, if needed, sonicate briefly. Record exact concentration from weight and purity (from CoA when available).
• Plate formatting
  • Aliquot into low-binding polypropylene or COC plates/tubes. Backfill headspace with dry nitrogen/argon. Store sealed to limit evaporation.
• Assay dosing
  • Transfer via acoustic dispensing or pintools to keep DMSO ≤0.1–1% v/v. Include vehicle controls matched to the highest DMSO used.
• Aggregation and interference controls
  • Run concentration–response in the presence/absence of 0.01–0.05% non-ionic detergent. Evaluate redox interference if the assay uses peroxidase-coupled readouts.
• Quality control
  • Before broad deployment, confirm identity and purity by LC/MS. Re-test after multiple freeze–thaw cycles or >3 months storage.

These are general recommendations; adapt to your assay platform and consult the SDS/CoA for any item-specific constraints.

Biological Roles

Item-specific biological targets, pathways, and mechanisms are not provided. As a Moligand™ screening compound, K31440 is intended for discovery workflows where biological roles are determined empirically during screening and follow-up studies.

General considerations for small-molecule ligands

• Potential roles: reversible binding to enzymes, receptors, transporters, or nucleic acids; modulation of signaling or metabolic pathways. Exact modality (agonist/antagonist/inhibitor/activator/binder) is unknown without structure and data.
• Liability assessment: Evaluate for non-specific mechanisms (colloidal aggregation, covalent reactivity, redox cycling, metal chelation) using standardized triage assays.
• ADME-relevant properties: Once the structure is available, compute cLogP, TPSA, HBD/HBA counts, and ionization state vs pH to anticipate permeability, solubility, and protein binding during in vitro assays.

Assay design notes

• Include orthogonal readouts to distinguish genuine target engagement from reporter or pathway artifacts.
• Track time-dependence of effect to flag slow-binding or covalent behaviors.
• If using cellular systems, benchmark general cytotoxicity (e.g., CellTiter assays) at multiples of the intended active concentration to set safe assay windows.

Important: No therapeutic/clinical claims are made. This compound is for research use only, and any putative biological role must be established experimentally.

Buffer Applications

This product is a small organic screening ligand, not a buffering agent. It is not typically used to prepare defined pH buffer systems.

Practical guidance for assay buffers (general)

• For biochemical assays, choose buffers with minimal compound interaction (e.g., HEPES, Tris, or phosphate at 10–50 mM), include 0.01–0.05% Tween-20 to mitigate aggregation when compatible, and maintain DMSO ≤0.5–1% v/v.
• Control pH to within ±0.05 units at the assay temperature; compound ionization states (once known) may impact potency and solubility.
• Additives: 0.1–1 mM DTT or TCEP only if target requires a reducing environment; screen both with and without reducers to detect redox-liable artifacts.

If buffer-specific interactions are suspected (e.g., metal chelation, nucleophilicity), reassess after the structure is disclosed and consider alternative buffering ions.

Green Alternatives

This product functions as an individual screening compound rather than a process solvent or bulk reagent; therefore, “green alternative” considerations focus on solvent and assay-medium choices during handling and testing rather than substituting the compound itself.

Greener handling strategies (general)

• Prefer aqueous assay buffers with minimal DMSO (≤0.1–0.5% v/v) where feasible to reduce solvent burden.
• For stock preparation, consider ethanol or isopropanol when solubility allows, as they are more benign than DMF and DMSO for waste streams; confirm compound stability first.
• Use microscale assay volumes and miniaturized HTS formats (384/1536-well plates) to reduce chemical consumption.
• Implement closed-vial reformatting and inert-gas backfilling to extend shelf life and minimize repeat preparations.

Comparison of common solvents (general)

• DMSO: Excellent solubilizer, high boiling point; less desirable from a green chemistry perspective but often necessary.
• Ethanol/iPrOH: Preferable EHS profile; limited by solubility for many hydrophobic or highly polar ionizable compounds.
• ACN: LC-friendly and volatile; toxicity and waste handling require care.
• DMF: Powerful polar aprotic solvent; avoid when possible due to reproductive toxicity concerns.

Waste minimization

• Consolidate mother plates and maintain compound tracking to avoid redundant dissolution events. Validate stability to enable longer re-use intervals and decrease waste.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided. This item is supplied as a research-grade Moligand™ screening compound and is not intended for use in drug products or clinical applications.

Formulation and development context (research only)

• If pre-formulation studies are performed in vitro, characterize solubility versus pH and co-solvent to support assay design (shake-flask or kinetic solubility). Determine stability in common media (PBS, HBSS) at relevant temperatures.
• Avoid using this material in any human or veterinary formulation work. No compliance claims (e.g., USP/NF, Ph. Eur.) are made in the Product Data.

Regulatory and quality notes

• For any translational efforts, source GMP-compliant material with full regulatory documentation. The current product is designated “For research use only.”

Summary

• Pharmaceutical excipient or active-ingredient applications are not applicable based on available information. Limit use to laboratory research and screening.

Physical Properties

Item-specific physicochemical data have not been disclosed in the current listing. Do not assume values; use the batch CoA or request a specification sheet when precise metrics are required for method development.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Freezing Point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling Point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive Index: Not applicable if solid; otherwise not specified.
• pKa/logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis characteristics (ε, cutoff): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet. Practical guidance provided below.

Practical guidance (general)

• For small-molecule screening solids, initial dissolution trials typically use: DMSO (anhydrous), DMF, methanol, ethanol, or aqueous buffers with co-solvent (≤1–2% DMSO in assay). Start with 10–20 mM stocks in DMSO, then dilute into assay media.
• Confirm solubility and absence of precipitation by visual inspection and, if critical, by Nephelometry or UPLC at working concentration.
• If light sensitivity is unknown, prepare and store solutions in amber vials. If hydrolysis risk is suspected (functional groups unknown), avoid high-pH aqueous storage.

Quality and Grades

• Grade/Purity designation: Moligand™

What Moligand™ implies

• Moligand™ denotes inclusion in a curated small-molecule/ligand library designed for screening and discovery workflows (e.g., target engagement assays, biochemical or cell-based HTS). The emphasis is on tractable molecular properties and reliable handling rather than a specific analytical grade such as “HPLC grade solvent.”

Item-specific quality notes

• Assay/purity, residual solvents, and related impurities: Not specified for this item; refer to CoA/Spec Sheet.
• Water content, metal content, stabilizers, and spectral purity (NMR/LC-UV/MS): Not specified for this item; refer to CoA/Spec Sheet.
• Identity confirmation: Typically supported by LC/MS and/or NMR in screening libraries. Request batch CoA for details and acceptance criteria.

Practical implications

• For screening, ensure purity is suitable for assay interference minimization (ideally ≥90–95% by LC). If SAR or hit validation is critical, confirm purity and identity independently (orthogonal LC and 1H/13C NMR).
• UV transparency: Not specified. If using absorbance/fluorescence readouts, pre-screen for optical interference and intrinsic fluorescence.
• Counter-screens: Evaluate aggregation and redox activity (e.g., detergent sensitivity tests, DTT interference) when structure and PAINS liability are unknown.

Reaction and Applications

This item is supplied as a Moligand™ small-molecule screening compound rather than as a classical reagent or building block. Without a disclosed structure, specific synthetic or named-reaction roles cannot be assigned.

Research applications (general for screening ligands)

• Primary use: Biochemical and cell-based screening to assess target engagement, phenotypic modulation, or SAR exploration when paired with analogs.
• Hit triage: Test for assay interference (autofluorescence, redox, aggregation), evaluate concentration–response behavior, and confirm activity via orthogonal assays.
• Profiling: Use counterscreens for promiscuity (e.g., detergent-based aggregation assays), redox cycling checks (HRP/Amplex), and pan-assay interference motifs (PAINS) if/when the structure is disclosed.

Cheminformatics and biophysics

• Upon obtaining the structure from the CoA/spec sheet, compute cLogP, TPSA, pKa, and 3D conformers to guide solubility and permeability assumptions. Docking and thermal shift assays (DSF) can help prioritize conditions for structural biology.

Assay logistics

• Prepare concentrated DMSO stocks (10–50 mM). Dose into assay plates using acoustic or pin tools to keep DMSO ≤1% v/v. Verify compound integrity by LC/MS before extensive screening.

Not a general-purpose reagent

• Due to unspecified functionality, do not plan Grignard/cross-coupling/condensation usage. If synthetic derivatization is intended, request the detailed structure and impurity profile first.

Reaction Conditions

Specific reaction conditions are not applicable because the compound is supplied for screening rather than as a reagent, and its structure is not disclosed.

General laboratory practices for solution preparation

• Stock solutions: Prepare at 10–50 mM in anhydrous DMSO. If higher concentrations are required, confirm solubility and stability via LC/MS.
• Dilution: Add to assay buffers or media to achieve final DMSO ≤0.1–1% v/v. Mix thoroughly and allow 5–10 minutes equilibration; inspect for precipitation.
• Temperature: Room temperature handling is typical. Avoid prolonged heating unless stability is confirmed.
• Light and moisture: If photosensitivity or hydrolysis is unknown, work under ambient laboratory light with amber vials and minimize water exposure.

Analytical checks

• Use LC/UV/MS to verify identity and purity before extensive screening. Record retention time under standardized LC conditions to track stability over time.

Yield/kinetics

• Not applicable; no synthetic reactions are specified for this item.

Safety and Handling

GHS and specific hazard statements are not provided in the current listing. Always consult the product SDS for authoritative guidance. Handle as a research chemical of unknown hazard profile.

• GHS Classification/Pictograms: Not specified for this item; refer to SDS.
• Signal Word / H-Statements: Not specified for this item; refer to SDS.

General laboratory precautions (for small-molecule ligands)

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dust or vapors.
• Avoid generating dust/aerosols; minimize skin contact and prevent ingestion/inhalation.
• Incompatibilities: Without structural data, avoid strong oxidizers/reducers and strong acids/bases until compatibility is known. Segregate from reactive metals and sources of ignition.
• First aid overview: If on skin/eyes, rinse with water for ≥15 min. If inhaled, move to fresh air. If ingested, rinse mouth; seek medical attention in all cases. Defer to SDS for detailed instructions.
• Spill response: For solids, gently cover with inert absorbent, avoid dusting, collect mechanically, and dispose per institutional guidelines.
• Waste: Collect as organic chemical waste; do not discharge to drains. Follow local regulations.

Storage risk considerations

• Storage at room temperature per Product Data. In absence of stability data, keep container tightly closed, dry, and protected from light. Use desiccant and inert headspace for sensitive compounds when feasible.

Solvent Selection

Because structure and polarity are not disclosed, initial solvent screening should follow best practices for small-molecule library members.

Recommended dissolution sequence

• Primary: DMSO (anhydrous). Attempt 10–50 mM stock solutions; gentle warming (≤40 °C) and brief sonication can assist.
• Secondary: DMF, methanol, ethanol for organic-first workflows; isopropanol or acetonitrile for LC/assay compatibility.
• Aqueous delivery: Dilute DMSO stock into buffer/media to ≤0.1–1% v/v DMSO final, monitoring for precipitation.

Dielectric/miscibility considerations (general)

• DMSO and DMF offer high dielectric constants and dissolve both polar and many moderately nonpolar compounds; MeOH/EtOH aid volatility and assay compatibility. ACN provides LC-friendliness but less hydrogen-bonding capacity.

Small comparison (general use)

• DMSO vs MeOH: DMSO maximizes solubility, but MeOH facilitates rapid evaporation and lower viscosity for acoustic dispensing.
• DMF vs ACN: DMF improves solubilization of polar/ionic compounds; ACN is preferable for LC injection and rapid drying but may underperform for highly polar analytes.

Operational tips

• Filter solutions (0.22 µm) only if chemical stability allows; many discovery compounds adsorb to filters—assess recovery.
• Use amber vials and PTFE-lined caps. Pre-equilibrate plastics to minimize adsorption when dosing picomole-to-nanomole quantities.

Storage and Reconstitution

• Storage Conditions (as provided): Room temperature.
• Shipped In: Not specified for this item; refer to CoA/Spec Sheet.

Best practices (general for small-molecule screening compounds)

• Solid form: Store tightly closed in a dry environment, ideally with desiccant and away from light. If hygroscopicity or photolability is unknown, use amber containers and minimize exposure to ambient humidity.
• Reconstitution: Prepare concentrated stocks (e.g., 10–50 mM) in anhydrous DMSO. Record preparation date, solvent, and calculated concentration. Filter only if necessary and chemically compatible.
• Aliquoting: Dispense single-use aliquots to avoid repeated freeze–thaw or evaporation/rehydration cycles. Backfill vials/plates with inert gas when possible.
• Solution storage: Many discovery compounds are stable for weeks to months at −20 to −80 °C in DMSO; verify for this item experimentally. Protect from moisture ingress (tight seals, low-permeability plates) and light (amber vials/foil wrap).
• Thawing/handling: Allow solutions to equilibrate to room temperature before opening to prevent moisture condensation. Mix thoroughly prior to dilution into assay buffers.

Item-specific values (water content limits, stabilizers, solution shelf life): Not specified for this item; refer to CoA/Spec Sheet.

Research Use Note: For research use only.

Structure and Identity

This product is listed as a small-molecule screening compound (Moligand series) intended for research use within compound libraries. Item-specific structural identifiers are largely not disclosed in the Product Data.

• SKU: rp174402
• Product Name: K31440 (Moligand series)
• CAS: 434938-37-1 (catalog identifier)
• InChIKey: 228430 (as provided; full 27-character InChIKey not specified)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Item-specific functional groups, ring systems, heteroatoms, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes on identity

• The Moligand designation indicates inclusion in a curated small-molecule/ligand library for screening and discovery. Without a disclosed structure, any mechanistic or reactivity discussion must remain generic and method-focused.
• For unambiguous identification in publications or LIMS, cite CAS 434938-37-1, SKU rp174402, and the batch/lot from the CoA. Request the structural file (SDF/MOL/SMILES) from the CoA/specification sheet when needed for cheminformatics or docking.

2D depiction (descriptive)

• Not available from the current listing. Obtain the supplier’s structure file for depiction and substructure search workflows.

Synthetic Utility

Synthetic transformations cannot be prescribed without a disclosed structure. This product is intended as a screening ligand rather than a general synthetic reagent or building block.

General guidance if derivatization is contemplated (post-structure disclosure)

• Once functional groups are known, evaluate handles for diversification (e.g., aryl halides for cross-coupling, amines/acids/alcohols for amide/ester/urethane formation, heteroatoms for SNAr).
• Assess chemoselectivity and protecting-group needs early; perform small-scale scouting reactions with analytical monitoring (LC/UV/MS) to verify stability of the core scaffold.
• If chiral, determine enantiopurity and consider asymmetric routes or chiral resolution strategies. Monitor for epimerization under basic or high-temperature conditions.

Current applicability

• In the absence of structural data, treat this item as a final screening entity rather than a precursor. For synthetic campaigns, request the full structure and impurity profile or procure the corresponding building blocks where available.

Target Specificity

Target, epitope, or specificity information is not provided for this Moligand™ screening compound.

• Antigen/Target: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity, clone, isotype: Not applicable (not an antibody product).

Notes

• If internal data identify a putative target, report binding data (Kd/IC50/EC50), assay format, and conditions alongside the SKU and lot. Until such data are available, treat the compound as target-agnostic for screening purposes.