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Chemical structure of A 83-01

GC10166

A 83-01

Also known as 3-(6-methyl-2-pyridinyl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide

A 83-01 is a potent inhibitor of TGF-β type I receptor ALK5 kinase, type I nodal receptor ALK4 and type I nodal receptor ALK7, with IC50 s of 12 nM,45 nM and 7·5 nM against the transcription induced by ALK5, ALK4 and ALK7, respectively

ChemicalCAS909910-43-6MW421.52FormulaC25H19N5S
CAS number
909910-43-6
Molecular weight
421.52
Formula
C25H19N5S
Solubility
30mg/mL in DMSO (ultrasonic and warming and heat to 45°C)
InChIKey
HIJMSZGHKQPPJS-UHFFFAOYSA-N
Catalogue number
GC10166
Brand
GLPBIO
Computed properties PubChem CID 16218924 · XLogP 5 · TPSA 87.7 Ų · H-bond donors 1
XLogP
5
TPSA
87.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31

SMILES CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5

Computed descriptors from PubChem (CID 16218924), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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