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Chemical structure of CRT0273750

GC62215

CRT0273750

Also known as N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

CRT0273750 is an autotaxin (ATX) inhibitor and modulates LPA levels in plasm (IC50 = 0·014 μM)· CRT0273750 can be used in ATX/LPA-dependent models of cancer

ChemicalCAS1979939-16-6MW502.92FormulaC25H22ClF3N4O2
CAS number
1979939-16-6
Molecular weight
502.92
Formula
C25H22ClF3N4O2
Solubility
DMSO ： 250 mg/mL (497·10 mM; Need ultrasonic)
InChIKey
HXYXHSDYBDFOFO-INIZCTEOSA-N
Catalogue number
GC62215
Brand
GLPBIO
Computed properties PubChem CID 122199235 · XLogP 5.5 · TPSA 69 Ų · H-bond donors 1
XLogP
5.5
TPSA
69 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

SMILES C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3

Computed descriptors from PubChem (CID 122199235), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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