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Chemical structure of DDR1/2 inhibitor-2

GC73659

DDR1/2 inhibitor-2

Also known as 2-[8-[(1-methylindazol-5-yl)amino]-1-oxoisoquinolin-2-yl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide

DDR1/2 inhibitor-2 (Example 31) is a DDR1/DDR2 inhibitor, with IC50 values less than 100 nM

ChemicalCAS2908756-11-4MW492.45FormulaC25H19F3N6O2
CAS number
2908756-11-4
Molecular weight
492.45
Formula
C25H19F3N6O2
Solubility
DMSO ： 16·67 mg/mL (33·85 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JUQLDWCLIQVXCI-UHFFFAOYSA-N
Catalogue number
GC73659
Brand
GLPBIO
Computed properties PubChem CID 167472931 · XLogP 4 · TPSA 92.2 Ų · H-bond donors 2
XLogP
4
TPSA
92.2 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
36

SMILES CN1C2=C(C=C(C=C2)NC3=CC=CC4=C3C(=O)N(C=C4)CC(=O)NC5=CN=CC(=C5)C(F)(F)F)C=N1

Computed descriptors from PubChem (CID 167472931), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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