A-770041 - ≥99% , CAS No.869748-10-7

CAS: 869748-10-7 Cat. No.: A1452542 Molecular Weight: 621.75 PubChem CID: 9549184

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

A-770041 is a selective and orally active Src-family Lck inhibitor. A-770041 inhibits Lck with an IC 50 value of 147 nM with the presence of 1 mM ATP. A-770041 shows 300-fold selective to Lck over Fyn , the other Src family kinase involved in T-cell signaling. A-770041 can be used for the research of acute rejection.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N
• IUPAC Name: N-[4-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
• InChIKey: ZMNWFTYYYCSSTF-UHFFFAOYSA-N
• INCHI: 1S/C34H39N9O3/c1-21(44)41-14-16-42(17-15-41)24-9-11-25(12-10-24)43-33-30(32(35)36-20-37-33)31(39-43)23-8-13-26(29(19-23)46-3)38-34(45)28-18-22-6-4-5-7-27(22)40(28)2/h4-8,13,18-20,24-25H,9-12,14-17H2,1-3H3,(H,38,45)(H2,35,36,37)
• Isomeric SMILES: CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)N
• PubChem CID: 9549184
• Molecular Weight: 621.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Indolecarboxamides and derivatives Phenylpyrazoles N-alkylindoles Indoles Methoxyanilines Pyrazolo[3,4-d]pyrimidines 2-heteroaryl carboxamides Anisoles Methoxybenzenes Pyrrole carboxamides Phenoxy compounds N-alkylpiperazines Aminopyrimidines and derivatives Alkyl aryl ethers Cyclohexylamines N-methylpyrroles Imidolactams Acetamides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Carbonyl compounds Primary amines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Phenylpyrazole - N-alkylindole - Indole - Indole or derivatives - Pyrazolopyrimidine - Methoxyaniline - Pyrazolo[3,4-d]pyrimidine - Anisole - 2-heteroaryl carboxamide - Methoxybenzene - Phenol ether - Phenoxy compound - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Cyclohexylamine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Substituted pyrrole - Imidolactam - Pyrimidine - 1,4-diazinane - Piperazine - N-methylpyrrole - Tertiary carboxylic acid amide - Pyrrole - Azole - Pyrazole - Heteroaromatic compound - Acetamide - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Primary amine - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
• External Descriptors: Not available

Data sources

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.

DOI: 10.1186/s13321-016-0174-y