Products 1315329-35-1

CAS 1315329-35-1 is the registry number for 4-((4-Ethylpiperazin-1-yl)methyl)-N-(3-((4-methoxy-1H-pyrrolo(2,3-b)pyridin-5-yl)methylamino)-4-methylphenyl)-3-(trifluoromethyl)ben zamide. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg.

4-((4-Ethylpiperazin-1-yl)methyl)-N-(3-((4-methoxy-1H-pyrrolo(2,3-b)pyridin-5-yl)methylamino)-4-methylphenyl)-3-(trifluoromethyl)ben zamide
Biosynth
  • size: 10mg, 5mg, 25mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

DDR1-IN-2 is a secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the primary amino group of N3-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-4-methylbenzene-1,3-diamine. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 47 nM and 145 nM, respectively. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, an aromatic ether, a pyrrolopyridine, a N-alkylpiperazine and a member of (trifluoromethyl)benzenes.

Source: ChEBI

Identity
Molecular formulaC31H35F3N6O2
Molecular weight580.6 g/mol
IUPAC name4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
InChIKeyPBHDCPWPSOSGGD-UHFFFAOYSA-N
SMILESCCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NCC4=CN=C5C(=C4OC)C=CN5)C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: PBHDCPWPSOSGGD-UHFFFAOYSA-N