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Chemical structure of Avatrombopag hydrochloride

GC60608

Avatrombopag hydrochloride

Also known as 1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid;hydrochloride

Avatrombopag (AKR-501) hydrochloride is an orally active, nonpeptide thrombopoietin (TPO) receptor agonist (EC50=3·3 nM)

ChemicalCAS570403-17-7MW686.12FormulaC29H35Cl3N6O3S2
CAS number
570403-17-7
Molecular weight
686.12
Formula
C29H35Cl3N6O3S2
Solubility
DMSO ： 8·33 mg/mL (12·14 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JSHJSCRYBTVFTI-UHFFFAOYSA-N
Catalogue number
GC60608
Brand
GLPBIO
Computed properties PubChem CID 87588882 · TPSA 158 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
158 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
43

SMILES C1CCC(CC1)N2CCN(CC2)C3=C(N=C(S3)NC(=O)C4=CC(=C(N=C4)N5CCC(CC5)C(=O)O)Cl)C6=CC(=CS6)Cl.Cl

Computed descriptors from PubChem (CID 87588882), 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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Documents
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