K41498, Antagonist of CRF 2 receptor, CAS No.rp174403, Antagonist of CRF 2 receptor

CAS: rp174403 Cat. No.: rp174403

GRADE & PURITY Moligand™

Specifications

Product Name

K41498, Antagonist of CRF 2 receptor, CAS No.rp174403

Synonyms

[D-Phe¹¹,His¹²,Nle¹⁷]sauvagine(11-40);K 41498;K-41498

Grade

Moligand™

Specifications & Purity

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of CRF 2 receptor

CAS

rp174403

Molecule Type

Peptide

Product Line

Biological Products

Storage and Shipping

Storage

Room temperature

Associated Targets(Human)

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)

Genetic information

• Alternate Names: [D-Phe¹¹,His¹²,Nle¹⁷]sauvagine(11-40);K 41498;K-41498
• 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

No vendor‑validated application protocols are provided for this item. The following generic workflows are offered as non‑item‑specific guidance for small‑molecule library members.

• Biochemical enzyme assay (general example)

  • Prepare 10 mM stock in DMSO; serially dilute 1:3 into DMSO to generate a concentration range.
  • Add to assay buffer to reach final 0.1–1% DMSO; include vehicle controls.
  • Run in duplicate/triplicate; fit concentration–response (4‑parameter logistic) to estimate IC50/EC50.
  • Confirm hits with orthogonal readouts and check for aggregation (±0.01% Tween‑20) and redox interference controls.

• Cell‑based assay (general example)

  • Verify tolerance of cell line to DMSO (≤0.2–0.5% typical); pre‑screen for cytotoxicity.
  • Treat cells across a concentration range; include viability and off‑target controls.
  • Validate with washout experiments and time‑course as appropriate.

• Analytical QC before/after assays

  • LC–MS to confirm compound presence in wells; HPLC purity check if instability is suspected.

These are general templates and not validated for K41498 specifically.

Biological Roles

• Item‑specific

  • Biological function, target class, and pathway involvement: Not specified for this item; refer to CoA/Spec Sheet or associated library annotations.

• General considerations for small‑molecule library members

  • Until structure and annotation are disclosed, no endogenous biological role can be ascribed. Library compounds are typically synthetic and not naturally occurring metabolites.
  • If target annotations become available, map them to pathways (KEGG/Reactome) and Gene Ontology terms to rationalize phenotypes observed in screens.
  • Evaluate physicochemical properties (cLogP, TPSA, pKa—computed) to anticipate permeability and subcellular distribution once the structure is known.
  • Check known interference liabilities (fluorescence, redox activity, metal chelation, detergent‑like behavior) prior to mechanistic inference.

• Practical workflow (general guidance)

  • Start with unbiased phenotypic or biochemical screens; confirm hits with orthogonal readouts (SPR, DSF, ITC).
  • Use chemoproteomics or CETSA for target deconvolution when feasible.
  • Benchmark activity against negative/positive controls and assess concentration–response for potency and efficacy parameters.

No biological roles can be claimed for this catalog item based on the provided Product Data.

Buffer Applications

This catalog entry is a small‑molecule library compound rather than a buffering agent.

• Item‑specific

  • Buffering capacity, pKa(s), and buffer recipes: Not specified for this item; refer to CoA/Spec Sheet if later provided.

• General note

  • Library compounds may be dissolved into common buffers (PBS, HEPES, Tris) for assays, but they do not themselves define a buffer system. Select buffer based on assay biology and compound compatibility (solubility, stability, ionization).

Green Alternatives

Without a known structure, green chemistry choices center on solvent selection and handling practices during dissolution, assay preparation, and analytics.

• Item‑specific

  • No solvent or stability specifications are provided; refer to CoA/Spec Sheet.

• Greener dissolution and handling (general guidance)

  • Prefer DMSO over DMF/NMP for stock solutions: lower toxicity and better EHS profile.
  • For chromatographic methods, favor water–acetonitrile over water–methanol when compatible with detection and solubility; ACN offers lower viscosity and often reduced backpressure.
  • Minimize solvent volumes via high‑concentration stocks and microvolume dispensing; employ sealed plates to reduce VOC emissions.

• Comparison (general, qualitative)

  • DMSO: relatively preferable; high flash point; biodegradable concerns minimal compared with chlorinated solvents.
  • Ethanol: renewable feedstock; suitable for some preparations but higher cytotoxicity at assay concentrations.
  • 2‑MeTHF/CPME: greener alternatives for extractions (if needed), but typically not used for assay stock solutions.

• Operational improvements

  • Use amber, reusable glass vials to limit plastic waste and light exposure.
  • Implement automated low‑dead‑volume dispensers to cut solvent waste.
  • Standardize quench/cleanup protocols to avoid chlorinated solvents where possible.

All recommendations are general and should be validated for this specific compound once structural data are available.

Pharmaceutical Uses

No excipient, compendial, or manufacturing role is specified for this item; it is supplied strictly for research use only.

• Item‑specific

  • Pharmacopeial status (USP/EP/JP), residual solvent limits, and impurity profiles: Not specified for this item; refer to CoA/Spec Sheet.

• General guidance

  • Library compounds like this may be evaluated in discovery research (HTS, fragment screening, chemogenomics) but are not intended for human or veterinary use.
  • If formulation studies are performed in preclinical research, document solvent systems (e.g., DMSO, PEG‑400, Captisol), osmolality, and pH, and confirm stability and absence of precipitation under dosing conditions. Avoid clinical implications or use claims.
  • For any scale‑up or GLP studies, require expanded QC packages (identity, purity, residual solvents, elemental analysis) not provided here.

Physical Properties

Item‑specific property data are not provided in the Product Data for this SKU.

• Item‑specific

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Melting 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.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

• General guidance for unknown small molecules (literature/practice)

  • Initial solubility screen (tiered):
    1. DMSO at 10–50 mM; warm to 37–40 °C and vortex/sonicate.
    2. If aqueous use is required, prepare working dilutions (0.1–1% v/v DMSO) into buffer; include 0.01–0.05% nonionic surfactant to mitigate aggregation (general practice).
    3. For nonpolar compounds, test MeOH, EtOH, acetonitrile; for lipophilic acids/bases, consider pH adjustment (phosphate, HEPES) based on predicted pKa.
  • Solid state: Many screening compounds are delivered as amorphous solids or microcrystalline powders; hygroscopicity and polymorphism should be verified experimentally (TGA/DSC – general methods).
  • Stability considerations: Avoid prolonged light and moisture when structure is unknown; use amber vials and desiccants by default (general good practice).

Always defer to the item’s CoA/SDS for authoritative specifications once available.

Quality & Grades

• Item‑specific (from Product Data)

  • Grade/Purity: Moligand™
  • Purity percentage, stabilizers, metal limits, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

• What Moligand™ typically implies (general description)

  • Curated for small‑molecule/ligand screening workflows, emphasizing reliable identity and suitability for primary/secondary assays. Item‑specific acceptance criteria (e.g., HPLC purity, LC–MS identity) should be verified in the CoA.
  • Plate and vial formats may be optimized for HTS/fragment/chemogenomic libraries; mapping files (SMILES/SDF) are commonly provided per lot (confirm availability).

• Practical guidance for users

  • Verify identity and purity in‑house when critical: LC–MS (single major ion), analytical HPLC (single dominant peak), and, if needed, NMR. Record lot/plate well IDs to maintain traceability.
  • If UV detection is used in analytics or chromatography, assess compound UV profile experimentally because low‑UV or strongly absorbing analytes require method adjustments; the Product Data provide no UV cutoff—consult CoA.
  • If the compound is moisture/light sensitive (not specified), consider handling in low humidity and amberware until stability data are known.

• Documentation

  • For audit trails and reproducibility, archive the CoA, SDS, plate map, and any supplier‑provided structure files alongside your ELN records.

Reaction & Applications

This item is cataloged as a small‑molecule library member rather than a synthetic reagent; no reaction‑specific applications are provided.

• Item‑specific

  • Manufacturer Applications: Not specified beyond library context.

• General applications for Moligand‑type library members (non‑item‑specific)

  • Primary/secondary screening in biochemical or cell‑based assays to identify modulators of enzymes, receptors, transporters, or PPIs.
  • Biophysical characterization: SPR, BLI, MST, DSF/thermal‑shift assays to assess binding and stabilizing effects.
  • Affinity selection mass spectrometry or photoaffinity workflows (if functionality allows; confirm structure first) to fish targets from complex mixtures.
  • Orthogonal counterscreens to deconvolute assay interference (e.g., redox cycling, aggregation, fluorescence quenching). Include detergent (0.01–0.05% Tween‑20/NP‑40) to mitigate colloidal aggregation artifacts (general guidance).

• Practical tips (general)

  • Prepare concentrated DMSO stocks; avoid freeze–thaw by aliquoting.
  • Control DMSO percentage across wells; include vehicle controls, concentration–response curves, and post‑assay LC–MS verification when feasible.
  • Use PAINS and aggregator filters computationally once structure is available; confirm hits with orthogonal readouts.

No specific synthetic or named‑reaction use can be recommended until the compound’s structure and functional groups are disclosed.

Reaction Conditions

No reaction or transformation conditions are provided for this item and, given its library designation, it is not primarily intended as a reagent.

• Item‑specific

  • Recommended reaction conditions, catalysts, and temperatures: Not specified for this item; refer to CoA/Spec Sheet.

• General lab guidance related to handling (not synthetic reactions)

  • Stock solutions: prepare in DMSO at 10–50 mM; warm gently (≤40 °C) and sonicate if necessary. Label with concentration, solvent, and date.
  • Aqueous dilutions: add DMSO stock to buffer while vortexing to avoid local supersaturation; keep final DMSO ≤0.5–1% v/v where assay‑compatible.
  • Stability checks: monitor by LC–MS/HPLC at T0 and after storage (e.g., 1–4 weeks at room temperature or refrigerated) to detect degradation (general practice).
  • Light/air sensitivity (unknown): adopt conservative handling—use amber vials, minimize headspace, consider inert gas blanket for long‑term storage.

These are general practices only and should be validated experimentally for this specific compound once structural data are available.

Safety & Handling

Hazard classification is not supplied in the Product Data for this item. Handle as a research chemical of unknown hazard profile.

• Item‑specific

  • GHS classification, signal word, pictograms, H‑statements: Not specified for this item; refer to SDS.
  • Research Use: For research use only.
  • Storage condition (unopened): Room temperature (per Product Data).

• General precautions (good laboratory practice)

  • PPE: lab coat, safety glasses, disposable nitrile gloves; handle powders in a fume hood to avoid inhalation.
  • Incompatibilities (unknown structures): segregate from strong oxidizers/reductants, strong acids/bases until compatibility is known; avoid heat and open flames.
  • Hygiene: avoid ingestion/inhalation/skin contact; wash hands after handling; prevent cross‑contamination of screening plates.

• First‑aid overview (defer to SDS)

  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin/eyes: rinse with water for ≥15 min; remove contaminated clothing; seek medical advice as appropriate.
  • Ingestion: rinse mouth; do not induce vomiting unless directed by medical personnel.

• Spills & waste

  • Small spills: absorb with inert material, collect in compatible waste; ventilate area.
  • Disposal: treat as organic chemical waste; follow institutional and local regulations.

Always consult the product‑specific SDS for definitive hazard and response information once provided.

Solvent Selection

Because no structure or solubility data are provided, choose solvents using a tiered screening strategy suitable for diverse small molecules.

• Item‑specific

  • Solubility and solvent compatibility: Not specified for this item; refer to CoA/Spec Sheet.

• General solvent selection workflow (literature/practice)

  • Stock preparation: DMSO is the default for screening compounds; target 10–50 mM stocks.
  • Aqueous work: Dilute DMSO stocks into assay buffers (e.g., PBS, HEPES, Tris) keeping final DMSO ≤0.5–1% v/v to avoid assay interference.
  • Alternative solvents: MeOH, EtOH, acetonitrile for HPLC and certain assays; isopropanol for intermediate polarity; PEG‑400 or 1:1 PEG‑400/H2O for difficult cases (general guidance).
  • Adjust pH based on predicted ionization: basic compounds dissolve better in mildly acidic media; acids in mildly basic media (keep within assay tolerance).

• Comparison snapshot (general)

  • DMSO: excellent solvency; relatively benign, high boiling; may affect cell membranes at >0.5–1%.
  • MeOH/EtOH: fast evaporation; useful for coating or pre‑wetting surfaces; higher cytotoxicity in cells.
  • Acetonitrile: strong solvent, LC‑MS compatible; volatile and more hazardous.

• Tips

  • Warm (≤40 °C) and sonicate stubborn solids; avoid overheating.
  • Filter 0.2 µm before analytical injections to prevent clogging.
  • Document final solvent composition in all bioassays.

Storage & Reconstitution

• Item‑specific

  • Storage conditions (as supplied): Room temperature (per Product Data).
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

• Reconstitution (general guidance, not item‑specific)

  • For solids: prepare a concentrated stock in DMSO (e.g., 10–50 mM). Warm gently (≤40 °C) and sonicate to aid dissolution. Record exact concentration.
  • For solutions received: verify concentration by UV or quantitative NMR where possible.
  • Working solutions: dilute DMSO stock into assay buffer keeping final DMSO ≤0.5–1% v/v unless your system tolerates more.

• Aliquoting and stability (general practice)

  • Aliquot stocks to minimize freeze–thaw; cap tightly and, if long‑term storage is needed, consider 2–8 °C or −20 °C for DMSO stocks in amber vials. Validate stability by LC–MS/HPLC over time.
  • Protect from light and moisture until compound‑specific stability data are available.

Always consult the item’s CoA and SDS for definitive, lot‑specific instructions once provided.

Structure & Identity

Brief overview: This item is listed in a small‑molecule/compound library with Moligand™ designation; detailed structural identifiers are not supplied in the Product Data for this SKU.

• Item‑specific (from Product Data)

  • SKU: rp174403
  • Product name: K41498
  • CAS: rp174403 (catalog placeholder)
  • InChIKey: 250235 (non‑standard length; likely an internal identifier)
  • 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.
  • Grade: Moligand™
  • Category: Small molecules and compound libraries (小分子和化合物库)

• Structural features (general guidance)

  • 2D structure description, ring systems, heteroatoms, stereocenters, and functional groups cannot be summarized without a structure. Please consult the Certificate of Analysis (CoA) or structure file (SDF/SMILES) if provided with your library.

• Identity confirmation (general best practices)

  • Verify by LC–MS (exact mass and isotope pattern), 1H/13C NMR (if quantity permits), and HPLC purity profiling prior to screening.
  • Cross‑reference internal ID (K41498) with any supplied SDF to ensure plate/well mapping integrity.
  • If the supplier provides an InChI/SMILES later, generate an InChIKey (literature/computed) to harmonize with databases (PubChem, ChEMBL, etc.).

Synthetic Utility

This item is positioned as a screening library compound rather than a building block or reagent.

• Item‑specific

  • Functional groups, protecting groups, and reactivity profile: Not specified for this item; refer to CoA/Spec Sheet and structure file when available.

• General perspective

  • Without structural information, no reliable guidance can be given on transformations (e.g., cross‑coupling, nucleophilic substitutions, redox) or on compatibility with common reagents/catalysts.
  • If the structure becomes available and contains a handle (e.g., aryl halide, boronate, alkene, azide/alkyne), standard derivatizations can be planned for SAR expansion; otherwise, treat this SKU as a final screening entity rather than a synthetic intermediate.

• Practical tip

  • When SAR development is intended, request or derive a route‑of‑synthesis summary and identify diversification vectors to prioritize feasible analogs.

Target Specificity

• Item‑specific

  • Target(s), binding constants, selectivity profile, and mechanism: Not specified for this item; refer to CoA/Spec Sheet or library annotation files.

• General note

  • As a library member, target specificity—if any—must be established empirically in your assay system. Use counterscreens against close homologs and orthogonal biophysical methods (SPR/MST/DSF) to confirm binding and selectivity when data become available.