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Chemical structure of JAK1-IN-3

GC33036

JAK1-IN-3

Also known as (2R)-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide

JAK1-IN-3 (AZD4205) is a selective JAK1 inhibitor, with an IC50 of 73 nM, weakly inhibits JAK2 (IC50>14·7 μM), and shows little inhibition on JAK3 (IC50>30 μM)

ChemicalCAS2091134-68-6MW489.57FormulaC25H31N9O2
CAS number
2091134-68-6
Molecular weight
489.57
Formula
C25H31N9O2
Solubility
DMSO: 250 mg/mL (510·65 mM)
InChIKey
CVCVOSPZEVINRM-MRXNPFEDSA-N
Catalogue number
GC33036
Brand
GLPBIO
Computed properties PubChem CID 126715380 · XLogP 1.9 · TPSA 116 Ų · H-bond donors 3
XLogP
1.9
TPSA
116 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

SMILES C[C@H](C(=O)NC1=CC=CC2=C1NC=C2C3=NC(=NC=C3)NC4=CN(N=C4OC)C)N5CCN(CC5)C

Computed descriptors from PubChem (CID 126715380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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