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Chemical structure of Asundexian

GC65912

Asundexian

Also known as 4-[[(2S)-2-[4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]butanoyl]amino]-2-fluorobenzamide

Asundexian (BAY 2433334) is an orally active coagulation factor Xia (FXIa) inhibitor· Asundexian binds directly, potently, and reversibly to the active site of FXIa and thereby inhibits its activity· Asundexian inhibits human FXIa in buffer with an IC50 of 1 nM

ChemicalCAS2064121-65-7MW592.93FormulaC26H21ClF4N6O4
CAS number
2064121-65-7
Molecular weight
592.93
Formula
C26H21ClF4N6O4
Solubility
DMSO ： ≥ 250 mg/mL (421·63 mM)
InChIKey
XYWIPYBIIRTJMM-IBGZPJMESA-N
Catalogue number
GC65912
Brand
GLPBIO
Computed properties PubChem CID 135206011 · XLogP 3 · TPSA 132 Ų · H-bond donors 2
XLogP
3
TPSA
132 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
41

SMILES CC[C@@H](C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)N4C=C(N=N4)C(F)(F)F)OC

Computed descriptors from PubChem (CID 135206011), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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