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Chemical structure of JAK-IN-21

GC73148

JAK-IN-21

Also known as N-(cyanomethyl)-4-[2-[[1-(cyanomethyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzamide

JAK-IN-21 (Example 4) is a selective and potent JAK inhibitor with IC50s of 1·73, 2·04, 109 and 62·9 nM against JAK1, JAK2, J2V617F and TYK2, respectively

ChemicalCAS2445499-20-5MW372.38FormulaC19H16N8O
CAS number
2445499-20-5
Molecular weight
372.38
Formula
C19H16N8O
Solubility
DMSO ： 125 mg/mL (335·68 mM; Need ultrasonic)
InChIKey
HTJNRNRPDXBRQY-UHFFFAOYSA-N
Catalogue number
GC73148
Brand
GLPBIO
Computed properties PubChem CID 147843223 · XLogP 1.4 · TPSA 132 Ų · H-bond donors 2
XLogP
1.4
TPSA
132 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28

SMILES CC1=CN=C(N=C1C2=CC=C(C=C2)C(=O)NCC#N)NC3=CN(N=C3)CC#N

Computed descriptors from PubChem (CID 147843223), 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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