K-604 - Moligand™ , Inhibitor of acetyl-CoA acetyltransferase 1;Inhibitor of acetyl-CoA acetyltransferase 2, CAS No.K611305, Inhibitor of acetyl-CoA acetyltransferase 1;Inhibitor of acetyl-CoA acetyltransferase 2
K-604 - Moligand™ , Inhibitor of acetyl-CoA acetyltransferase 1;Inhibitor of acetyl-CoA acetyltransferase 2, CAS No.K611305, Inhibitor of acetyl-CoA acetyltransferase 1;Inhibitor of acetyl-CoA acetyltransferase 2
QUALITÀ & PUREZZAMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Moligand™ Moligand™ per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.
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Stoccaggio e spedizione
Room temperature Spedizione . Consultare il COA specifico del lotto per le specifiche esatte.
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Documenti di qualità
SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.
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Prova documentale
Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.
This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Peso molecolare
502.700 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
9
Exact Mass
502.164 Da
Monoisotopic Mass
502.164 Da
Topological Polar Surface Area
153.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
623.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Calcolatori di soluzioni
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Recensioni
Recensioni dei clienti
Application Protocols
No vendor-tested application protocols are provided for this item. The following are general, non-item-specific guidelines for small-molecule handling in discovery assays; adapt to your system.
Item-specific facts (from Product Data):
None beyond “For research use only.”
General workflow (example):
Stock preparation: Weigh the compound quickly (minimize ambient humidity exposure). Prepare a 10 mM stock in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Inspect for particulates; if present, centrifuge and/or 0.22 µm filter.
Serial dilution: Prepare a half-log or log dilution series in DMSO (or vehicle). Back-dilute into assay buffer to achieve final test concentrations with constant vehicle percentage across wells.
Controls: Include vehicle-only wells, positive control ligand (if available), and orthogonal counterscreens to detect fluorescence interference, aggregation, or redox artifacts.
Plate handling: Use low-bind tips/tubes/plates. Pre-wet pipette tips with solution before dispensing. Avoid edge effects by equilibrating plates and using randomized layouts.
Data quality: Track exact vehicle composition, pH, and incubation times. Record compound lot, storage history, and thaw cycles.
These directions are provided as general best practices and are not product-specific protocols.
Biological Roles
Item-specific biological function or target information is not provided in the Product Data.
Item-specific facts (from Product Data):
Target, pathway, and mechanism: Not specified for this item; refer to CoA/Spec Sheet or associated documentation.
General considerations for small-molecule library members (general knowledge):
Potential roles: Such compounds are commonly evaluated as ligands or modulators of enzymes, receptors, transporters, or scaffolding proteins. Absent structural data, no inference about specific target classes or selectivity can be made.
Assay planning: Incorporate orthogonal readouts (e.g., biochemical vs cellular) to discriminate direct target engagement from downstream or off-target effects. Include counter-screens to rule out frequent hitters and redox/aggregation artifacts.
Stability and metabolism (research context): Chemical stability in assay buffers and cell culture media can impact apparent activity; if moving toward cellular work, evaluate chemical stability, photostability, and serum-binding. For mechanistic biochemistry, pre-incubation times and redox environment (e.g., DTT/βME presence) may influence results.
Note: No clinical or therapeutic claims are made or implied. This product is supplied strictly for research use only (per Product Data). Users should generate their own target-specific data and confirm identity/purity against the supplied lot documentation.
Buffer Applications
This item is a small-molecule compound and not itself a buffering agent. Nonetheless, buffer choice is critical for reliable biochemical or biophysical testing of small molecules.
Item-specific facts (from Product Data):
No buffer system is specified for this item.
General guidance (assay-focused, not item-specific):
Common assay buffers: HEPES (pH 7.4), Tris (pH 7.5–8.0), PBS (pH ~7.4), or assay-specific mixtures with defined ionic strength and cofactors (e.g., Mg2+, ATP). Maintain consistent pH and ionic strength across compound/vehicle controls.
Vehicle limits: Keep DMSO or other organic carriers ≤0.1–1% v/v where the biology tolerates it. Always match vehicle composition in controls.
Solubility aids: If necessary, consider 0.01–0.05% nonionic surfactant or cyclodextrins; confirm they do not perturb the target or readout.
Adsorption: Use low-bind plastics and pre-wet tips to minimize loss of hydrophobic compounds.
Recipes or pH ranges specific to a dedicated buffer system are not applicable here because the compound is not intended to act as a buffering agent. For exact buffer compositions, follow your assay’s standard operating procedures.
Green Alternatives
Greenness considerations here primarily relate to solvent and vehicle selection for preparing stocks and running assays, since the compound’s structure is not provided.
General/literature guidance:
Prefer high-boiling, safer dipolar aprotics or aqueous vehicles over volatile, toxic solvents where assay compatibility allows.
Minimize DMSO carryover to ≤0.1% v/v in biological assays when feasible, and employ miniaturization to reduce overall solvent consumption.
Comparison of commonly used vehicles (general):
| Vehicle | Advantages | Trade-offs |
| --- | --- | --- |
| DMSO | Excellent solvency; widely compatible; well-characterized in assays | Not benign (reproductive tox concern); hygroscopic; can affect membrane integrity at >1% |
| PEG-400 (or glycerol) | Low volatility; good solvency for lipophiles; greener profile | Viscous; can interfere with some readouts; harder to pipette at small volumes |
| Aqueous HP-β-CD (2–10%) | Enhances solubility of hydrophobes; aqueous medium | Potential target interference; complexation can alter apparent potency |
| Ethanol/MeOH (≤1%) | Simple, volatile, easy removal | Cytotoxicity at higher %; volatility complicates dose accuracy |
Operational tips:
Use the least hazardous solvent that achieves reproducible solubilization and assay performance.
Document final vehicle composition rigorously; consider solvent-matched blanks and controls.
For scale-up of in vitro studies, capture solvent recovery and waste segregation to reduce environmental impact.
Pharmaceutical Uses
No pharmacopeial status, excipient function, or manufacturing role is provided for this item.
Item-specific facts (from Product Data):
Intended use: For research use only (not for human or veterinary use).
General context (non-clinical, non-therapeutic):
Discovery and preformulation research: Small molecules from screening libraries may be used to explore solubility profiles, stability in biorelevant media, early permeability (PAMPA/Caco-2), and compatibility with common vehicles—all within research settings.
Reference/analytical standards: Where identity and purity are well-characterized, compounds may serve as internal standards or system suitability probes for LC–MS or HPLC method development (only if validated in-house for such use).
No claims are made regarding therapeutic efficacy, safety, or clinical utility. This material is not supplied under GMP and is not suitable for use as an API or excipient without extensive additional qualification. Consult your institutional policies before any work that might resemble preclinical development.
Physical Properties
Item-specific specifications are not supplied in the Product Data for this entry.
Item-specific facts (from Product Data):
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Typical laboratory considerations for small molecules (general/literature guidance):
Melting/boiling points, density, and refractive index vary widely with scaffold and substituents; consult the CoA or measure experimentally (DSC, TGA, Kofler hot-stage, pycnometry) when needed for formulation or solid-form work.
Solubility screening: It is common to begin with DMSO (up to 100 mM stocks), followed by co-solvent systems (e.g., DMSO:H2O, DMSO:MeOH, or DMSO:PEG-400) to reach working assay concentrations with ≤0.1–1% organic in the final aqueous phase. Record exact solvent composition in lab notebooks for reproducibility.
LogP/logD and pKa: If unknown, estimate via cheminformatics calculators (literature/computed values) and verify experimentally (shake-flask logP, potentiometric or UV-pKa).
Hygroscopicity/polymorphism: Screen by DVS and PXRD if material behavior in air or solid-form stability is operationally important.
Do not treat any of the above as specifications for this item; they are general best practices. For authoritative property values, use the CoA/Spec Sheet or perform in-house measurements.
What Moligand™ typically implies (general supplier-grade context):
Moligand™-branded compounds are generally intended for discovery screening, ligand identification, and chemical biology research. Emphasis is on identity confirmation and suitability for use in biochemical, biophysical, and cell-based assays, rather than on ultra-trace impurity control typical of GMP or pharmacopeial grades.
Documentation often includes identity verification (e.g., LC–MS/HRMS and/or 1H NMR) and an assay-suitable purity threshold. Exact analytical methods, acceptance criteria, and stabilizers (if any) are lot-dependent.
For this specific item:
Declared purity value, stabilizers, water/peroxide content, residual metals, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
If low-UV background or LC-MS cleanliness is important, request chromatograms and spectral data for your lot.
Best practices for assay-grade small molecules:
Verify purity by orthogonal methods (LC-UV at multiple wavelengths, LC-MS, and, where possible, quantitative NMR) prior to HTS or mechanistic studies.
Document counterion/solvate state and confirm salt form, as these can affect solubility and potency readouts.
Reaction and Applications
This product is categorized as a small-molecule/compound library member rather than a synthetic reagent. No manufacturer reaction guidance is provided.
Item-specific facts (from Product Data):
Manufacturer Applications: Not specified beyond inclusion in a small-molecule library; For research use only.
Applicable research uses (general discovery chemistry guidance):
Biochemical and biophysical screening: Use as a candidate ligand in target-based assays (e.g., enzyme activity, receptor binding, thermal shift/DSF, SPR, MST), ensuring appropriate controls and vehicle matching.
Phenotypic assays: Evaluate in cell-based or organismal phenotypic screens with careful concentration ranges and replicate design to mitigate false positives (aggregation, redox cycling, PAINS-like artifacts).
Orthogonal confirmation: Validate primary hits with counter-screens, orthogonal biophysical methods, and structure–activity relationship (SAR) exploration if analogs are available.
ADME profiling (research context): Determine solubility, stability in assay buffer, microsomal stability (where relevant), and permeability using standard in vitro assays.
Not a typical role:
This item is not positioned as a reagent for named synthetic transformations (e.g., cross-coupling, oxidations). If used in chemistry workflows, it would more commonly serve as a reference standard, spike-in control, or comparator molecule in analytical methods.
Reaction Conditions
Not typically applicable. This item is not supplied as a reagent for carrying out chemical transformations, and no reaction conditions are provided in the Product Data.
Item-specific facts (from Product Data):
Manufacturer Applications: Not specified beyond research use.
General note:
If the compound is to be modified or used as a substrate in enzymatic or chemical transformations, users must first obtain full structural information and then consult reaction-specific literature for suitable solvents, temperatures, catalysts, and times. Do not infer conditions from unrelated scaffolds.
For routine analytical workflows instead of synthetic reactions:
Dissolution for analytical assays: Prepare concentrated DMSO stocks (commonly 10–50 mM), confirm complete dissolution (visual inspection, light scattering), and dilute into mobile phase or buffer as required.
Chromatography: Method development using reverse-phase LC with water/acetonitrile (or methanol) + 0.1% formic acid or ammonium buffers is common for small molecules; confirm UV spectra and MS response empirically.
Safety and Handling
Safety information specific to this item is not provided in the Product Data and should be obtained from the SDS.
Item-specific facts (from Product Data):
GHS Classification: Not specified for this item; refer to SDS.
Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
Storage Conditions: Room temperature.
General laboratory guidance for small organic molecules (general knowledge; defer to SDS):
PPE: Wear lab coat, safety glasses, and suitable chemical-resistant gloves. Work in a fume hood when weighing, dissolving, or transferring powders/solutions.
Avoid inhalation of dust/aerosols and contact with skin/eyes. Prevent ingestion. Wash hands thoroughly after handling.
Incompatibilities: Unknown for this specific item. As general practice, segregate from strong oxidizers, strong acids/bases, and ignition sources until specific compatibility is known.
First aid (overview): If on skin/eyes, rinse with water for ≥15 minutes and seek medical attention. If inhaled, move to fresh air. If ingested, do not induce vomiting; seek medical assistance. Follow SDS instructions.
Waste: Collect in appropriate organic waste streams according to institutional and regulatory requirements.
Note: Without item-specific hazard data, treat as “hazard category not evaluated.” Always consult and retain the SDS supplied with the lot you receive.
Solvent Selection
Because no structure or solubility data are provided for this item, solvent choice should follow a pragmatic screening workflow appropriate for small-molecule ligands.
Item-specific facts (from Product Data):
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
General/literature guidance for assay stock preparation:
Primary stock solvent: DMSO is the standard first-line solvent for small-molecule libraries due to broad solvency and assay compatibility at ≤0.1–1% v/v final concentration.
Co-solvent strategies for difficult solubility: Consider DMSO:water (50:50), DMSO:MeOH or EtOH (1:1), or DMSO with PEG-400 (5–20%) when higher stock concentrations are needed. Filter through 0.22 µm to remove undissolved particulates.
Aqueous vehicles: Use PBS or assay buffer with minimal organic carrier. Include nonionic surfactants (e.g., 0.01–0.05% Tween-20) only if the biological system tolerates them.
pH dependence: If the compound is ionizable (unknown here), modest pH adjustments (±1 pH unit) can markedly affect solubility; avoid extremes that may degrade the molecule or interfere with assays.
Adsorption/binders: Minimize nonspecific adsorption by pre-wetting plastics with vehicle or using low-bind consumables.
When to choose alternatives:
If DMSO-sensitive assays are used, evaluate alternatives such as NMP (limited), propylene glycol, or aqueous cyclodextrin inclusion (e.g., 2–10% HP-β-CD), validating assay compatibility first.
Storage and Reconstitution
Item-specific facts (from Product Data):
Storage Conditions: Room temperature.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule solids and DMSO stocks (general knowledge; not item-specific):
Solid storage: Keep tightly closed in the original container, protected from moisture. Use a desiccant and store in a clean, dry place away from direct light. Record opening date and environmental conditions.
Stock solutions: Prepare concentrated stocks (e.g., 10–50 mM) in anhydrous DMSO. Aliquot into low-bind, airtight vials to minimize headspace and freeze–thaw cycles. Store at −20 to −80°C for long-term stability unless the CoA indicates room-temperature solution stability. Thaw on ice and vortex to re-dissolve precipitates before use.
Stability checks: Periodically confirm integrity by LC–MS/LC–UV. Discard if significant degradation or precipitation is observed.
Because detailed stabilizer information, hygroscopicity, and light sensitivity are not provided for this item, adopt conservative handling until lot-specific guidance is reviewed in the CoA/Spec Sheet and SDS.
Structure and Identity
Brief overview: This listing (K-604; SKU K611305) is a small-molecule entry from Aladdin’s small-molecule/compound library category. The supplier grade is Moligand™ (see Quality & Grades). Structural identifiers for this specific item are largely not provided in the product data.
Item-specific facts (from Product Data):
SKU: K611305
Product Name: K-604
Category: 小分子和化合物库 (small molecules and compound library)
Grade: Moligand™
Storage: Room temperature
CAS: K611305 (as provided)
PubChem CID: 9892288 (as provided)
InChIKey: 378295 (as provided)
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 description:
Functional groups, ring systems, stereochemistry, and 2D structure: Not specified for this item; refer to CoA/Spec Sheet.
Notes:
The provided identifiers (CID, InChIKey) are reported verbatim from the listing. Because no structure (SMILES) or formula is supplied, users should verify identity against the Certificate of Analysis (CoA) or request structural documentation before use in structure-dependent assays or modeling.
Synthetic Utility
This product is positioned as a finished small-molecule library member rather than a synthetic building block or reagent.
Item-specific facts (from Product Data):
No reactive functionality or building-block descriptors are provided.
General guidance (non-item-specific):
If needed in synthesis workflows, such compounds can function as analytical comparators, spike-in standards, or references for method validation (LC–MS/HPLC). They are typically not deployed as reagents or catalysts.
If derivatization is contemplated (e.g., to generate analogs), first obtain or confirm structural information (SMILES, InChI, functional groups, stereochemistry) from the CoA/Spec Sheet. Evaluate chemoselectivity and stability prior to any late-stage diversification.
Given the lack of structural data, no recommendations can be made for specific named reactions or protection strategies. For retrosynthetic planning or SAR expansion, secure definitive structural identity and purity data for the lot in hand.
Target Specificity
Target, epitope, and specificity information are not supplied for this item.
Item-specific facts (from Product Data):
Target/Mechanism: Not specified for this item; refer to CoA/Spec Sheet.
Guidance (general, for planning experiments):
Include appropriate positive and negative controls when evaluating putative target interactions.
Employ orthogonal confirmation (e.g., enzymology with mechanism-of-action analysis, biophysical binding assays such as SPR/MST/ITC) to establish genuine target engagement.
Assess selectivity across related target families to gauge off-target risk if progressing in discovery workflows.
No claims of specificity, selectivity, or mechanism are made for this product.
Domande frequenti
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is K611305. InChIKey VGGMTOYKEDKFLN-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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