risvodetinib - Moligand™ , Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of ABL proto-oncogene 2; non-receptor tyrosine kinase;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase, CAS No.2031185-00-7, Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of ABL proto-oncogene 2; non-receptor tyrosine kinase;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

CAS: 2031185-00-7 Cat. No.: R613206 PubChem CID: 122650693

GRADE & PURITY Moligand™

Synonyms

Compound 809 [US20200046699A1] | GTPL12383 | 2031185-00-7 | risvodetinib [INN] | Risvodetinib | BDBM481128 | 2QG2B2XW2I | SCHEMBL18183821 | N-[4-methyl-3-({4-[5-(4-methyl-1,2-oxazol-5-yl)pyridin-3-yl]pyrimidin- 2-yl}amino)phenyl]-4-[(4-methylpiperazin-1-y

Storage

Room temperature

Specifications

Synonyms

Compound 809 [US20200046699A1] | GTPL12383 | 2031185-00-7 | risvodetinib [INN] | Risvodetinib | BDBM481128 | 2QG2B2XW2I | SCHEMBL18183821 | N-[4-methyl-3-({4-[5-(4-methyl-1, 2-oxazol-5-yl)pyridin-3-yl]pyrimidin- 2-yl}amino)phenyl]-4-[(4-methylpiperazin-1-y

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of ABL proto-oncogene 2; non-receptor tyrosine kinase;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

Names and Identifiers

• Canonical Smiles: Cc1c(cc(cc1)NC(=O)c1ccc(cc1)CN1CCN(CC1)C)Nc1nccc(n1)c1cc(cnc1)c1c(cno1)C
• InChIKey: ADGOPPKEIZXKAZ-UHFFFAOYSA-N
• INCHI: 1S/C33H34N8O2/c1-22-4-9-28(37-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)17-30(22)39-33-35-11-10-29(38-33)26-16-27(20-34-19-26)31-23(2)18-36-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,37,42)(H,35,38,39)
• Isomeric SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CC(=CN=C5)C6=C(C=NO6)C
• PubChem CID: 122650693

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Diaminotoluenes Benzamides Phenylmethylamines Benzylamines Benzoyl derivatives N-methylpiperazines Methylpyridines Aralkylamines Pyrimidines and pyrimidine derivatives N-acyl amines Secondary ketimines Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acid amides Carboximidamides Azacyclic compounds Aldimines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Diaminotoluene - Benzoic acid or derivatives - Benzamide - Phenylmethylamine - Benzylamine - Benzoyl - Methylpyridine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Pyrimidine - Pyridine - Piperazine - N-acyl-amine - 1,4-diazinane - Heteroaromatic compound - Secondary ketimine - Isoxazole - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Associated Targets(Human)

ABL2 Tchem Tyrosine-protein kinase ABL2 (0 Activities)

Discover Target: ABL2

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

ABL1 Tclin Tyrosine-protein kinase ABL1 (0 Activities)

Discover Target: ABL1

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

KIT Tclin Mast/stem cell growth factor receptor Kit (0 Activities)

Discover Target: KIT

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