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Chemical structure of GNE-9822

GC69183

GNE-9822

Also known as N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide

GNE-9822 is an orally effective selective inhibitor of ITK with a Ki value of 0·7 nM· GNE-9822 has good ADME properties and can be used for research on asthma

ChemicalCAS1557232-32-2MW420.55FormulaC24H32N6O
CAS number
1557232-32-2
Molecular weight
420.55
Formula
C24H32N6O
Solubility
DMSO ： 62·5 mg/mL (148·61 mM; Need ultrasonic)
InChIKey
XFYUTGIEFKGWND-NRFANRHFSA-N
Catalogue number
GC69183
Brand
GLPBIO
Computed properties PubChem CID 74983355 · XLogP 3.8 · TPSA 78.8 Ų · H-bond donors 2
XLogP
3.8
TPSA
78.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31

SMILES CC1(CCC2=C(C1)NN=C2C(=O)NC3=CN(N=C3)[C@@H](CCN(C)C)C4=CC=CC=C4)C

Computed descriptors from PubChem (CID 74983355), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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