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Chemical structure of TAK-659 hydrochloride

GC19344

TAK-659 hydrochloride

Also known as 6-[[(1R,2S)-2-aminocyclohexyl]amino]-7-fluoro-4-(1-methylpyrazol-4-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;hydrochloride

TAK-659 hydrochloride is a potent, selective and orally available spleen tyrosine kinase (Syk) inhibitor with an IC50 of 3·2 nM

ChemicalCAS1952251-28-3MW380.85FormulaC17H22ClFN6O
CAS number
1952251-28-3
Molecular weight
380.85
Formula
C17H22ClFN6O
Solubility
DMSO ： ＜ 1 mg/mL (insoluble or slightly soluble);Water ： 2 mg/mL (5·25 mM; ultrasonic and adjust pH to 3 with HCl)
InChIKey
PTCFBXMEFRIEGV-ZVWHLABXSA-N
Catalogue number
GC19344
Brand
GLPBIO
Computed properties PubChem CID 129626432 · TPSA 97.9 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
97.9 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26

SMILES CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)N[C@@H]4CCCC[C@@H]4N.Cl

Computed descriptors from PubChem (CID 129626432), 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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