Tepotinib Hydrochloride Hydrate , Hepatocyte growth factor receptor inhibitor, CAS No.1234780-14-3, Hepatocyte growth factor receptor inhibitor

CAS: 1234780-14-3 Cat. No.: T671198 Molecular Weight: 547 PubChem CID: 46700774

Synonyms

Tepotinib hydrochloride | D11073 | 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1,6-dihydropyridazin-3-yl)benzonitrile hydrochloride hydrate | Tepotinib Hydrochloride Hydrate | SCHEMBL1296467 | 3-{1-[(3-{5-[(1-methylpiperidin-4

Storage

Room temperature

Specifications

Synonyms

Tepotinib hydrochloride | D11073 | 3-(1-(3-(5-((1-methylpiperidin-4-yl)methoxy)pyrimidin-2-yl)benzyl)-6-oxo-1, 6-dihydropyridazin-3-yl)benzonitrile hydrochloride hydrate | Tepotinib Hydrochloride Hydrate | SCHEMBL1296467 | 3-{1-[(3-{5-[(1-methylpiperidin-4

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Hepatocyte growth factor receptor inhibitor

Names and Identifiers

• Canonical Smiles: CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N.O.Cl
• IUPAC Name: 3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile;hydrate;hydrochloride
• InChIKey: KZVOMLRKFJUTLK-UHFFFAOYSA-N
• INCHI: 1S/C29H28N6O2.ClH.H2O/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30;;/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3;1H;1H2
• Isomeric SMILES: CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N.O.Cl
• PubChem CID: 46700774
• Molecular Weight: 547

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridazines
• Alternative Parents: Benzonitriles Pyridazinones Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Piperidines Heteroaromatic compounds Trialkylamines Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyridazine - Benzonitrile - Pyridazinone - Alkyl aryl ether - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl 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