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Chemical structure of ATX inhibitor 5

GC62403

ATX inhibitor 5

Also known as N-[(E)-(4-chlorophenyl)methylideneamino]-4-[3-(trifluoromethyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

ATX inhibitor 5 is a potent and orally active autotaxin (ATX) inhibitor, with an IC50 of 15·3 nM

ChemicalCAS2402772-45-4MW474.87FormulaC22H18ClF3N6O
CAS number
2402772-45-4
Molecular weight
474.87
Formula
C22H18ClF3N6O
Solubility
DMSO ： 250 mg/mL (526·46 mM; Need ultrasonic)
InChIKey
VHRNHTUEITYZIH-VPUKRXIYSA-N
Catalogue number
GC62403
Brand
GLPBIO
Computed properties PubChem CID 146014477 · XLogP 4.4 · TPSA 82.5 Ų · H-bond donors 2
XLogP
4.4
TPSA
82.5 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
33

SMILES C1CN(CC2=C1N=CN=C2NC3=CC=CC(=C3)C(F)(F)F)C(=O)N/N=C/C4=CC=C(C=C4)Cl

Computed descriptors from PubChem (CID 146014477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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