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K-Ras G12C-IN-1 - ≥98% , CAS No.1629265-17-3
Disponible para pedir
GRADE & PURITY ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Descripción general
K-Ras G12C-IN-1 is a novel and irreversible inhibitor of mutant K-ras G12C extracted from patent WO 2014152588 A1.IC50 value:Target: K-ras G12C inhibitor
Form:Solid
Specifications
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
K-Ras G12C-IN-1 is a novel and irreversible inhibitor of mutant K-ras G12C extracted from patent WO 2014152588 A1.\nIC50 value:\nTarget: K-ras G12C inhibitor
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
INHIBITOR
Pureza
≥98%
Nombres e identificadores
| Sonrisas canónicas | COC1=C(C=C(C(=C1)Cl)C2=CC=CC=C2Cl)NCC(=O)N3CCN(CC3)C(=O)C=C |
|---|---|
| IUPAC Name | 1-[4-[2-[4-chloro-5-(2-chlorophenyl)-2-methoxyanilino]acetyl]piperazin-1-yl]prop-2-en-1-one |
| InChIKey | ZJWLFLPGQCYBSE-UHFFFAOYSA-N |
| INCHI | 1S/C22H23Cl2N3O3/c1-3-21(28)26-8-10-27(11-9-26)22(29)14-25-19-12-16(18(24)13-20(19)30-2)15-6-4-5-7-17(15)23/h3-7,12-13,25H,1,8-11,14H2,2H3 |
| Isómeros SMILES | COC1=C(C=C(C(=C1)Cl)C2=CC=CC=C2Cl)NCC(=O)N3CCN(CC3)C(=O)C=C |
| PubChem CID | 90462972 |
| Peso molecular | 448.34 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Clase Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
- Level5 Chlorinated biphenyls
- Level6 Polychlorinated biphenyls
- Level5 Chlorinated biphenyls
- Subclass Biphenyls and derivatives
- Clase Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Chlorinated biphenyls |
| Direct Parent | Polychlorinated biphenyls |
| Alternative Parents | Alpha amino acid amides Aminophenyl ethers Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Chlorobenzenes Secondary alkylarylamines Piperazines Aryl chlorides Acrylic acids and derivatives Tertiary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polychlorinated biphenyl - Alpha-amino acid amide - Alpha-amino acid or derivatives - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Acrylic acid or derivatives - Carboxamide group - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as polychlorinated biphenyls. These are organic compounds containing at least two chlorine atoms attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Solubilidad | DMSO : ≥ 40 mg/mL (89.22 mM) |
|---|---|
| Peso molecular | 448.300 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 447.112 Da |
| Monoisotopic Mass | 447.112 Da |
| Topological Polar Surface Area | 61.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 612.000 |
| 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 |
Calculadoras de soluciones
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