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Chemical structure of SHR0302

GC39802

SHR0302

Also known as (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

SHR0302 is a potent and orally active all members of the JAK family inhibitor, particularly JAK1

ChemicalCAS1445987-21-2MW414.48FormulaC18H22N8O2S
CAS number
1445987-21-2
Molecular weight
414.48
Formula
C18H22N8O2S
Solubility
DMSO： 31·25 mg/mL (75·40 mM)
InChIKey
DNBCBAXDWNDRNO-FOSCPWQOSA-N
Catalogue number
GC39802
Brand
GLPBIO
Computed properties PubChem CID 71622431 · XLogP 2.3 · TPSA 140 Ų · H-bond donors 2
XLogP
2.3
TPSA
140 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
29

SMILES CN(C1C[C@@H]2CN(C[C@@H]2C1)C(=O)NC3=NC(=NS3)OC)C4=NC=NC5=C4C=CN5

Computed descriptors from PubChem (CID 71622431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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