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Chemical structure of JAK1-IN-11

GC73456

JAK1-IN-11

Also known as 1-[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[[1-[4-[(1R)-1-hydroxyethyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-4-yl]methyl]methanesulfonamide

JAK1-IN-11 (compound 11) is a potent inhibitor of JAK,with IC50s of 0·02 nM (JAK1),and 0·44 nM (JAK2),respectively

ChemicalCAS2427608-43-1MW528.67FormulaC26H36N6O4S
CAS number
2427608-43-1
Molecular weight
528.67
Formula
C26H36N6O4S
Solubility
DMSO ： 100 mg/mL (189·15 mM; Need ultrasonic)
InChIKey
CMZLROFEPZYUSV-LBISXTPBSA-N
Catalogue number
GC73456
Brand
GLPBIO
Computed properties PubChem CID 168510556 · XLogP 2.2 · TPSA 142 Ų · H-bond donors 3
XLogP
2.2
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37

SMILES C[C@H](C1=NC2=CN=C3C(=C2N1N4CCC(CC4)CNS(=O)(=O)C[C@@]56CC[C@@H](C5(C)C)CC6=O)C=CN3)O

Computed descriptors from PubChem (CID 168510556), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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