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Chemical structure of STAT6-IN-3

GC71291

STAT6-IN-3

Also known as [4-[(E)-3-[[(2S)-1-[(2S)-2-[(4-iodophenyl)-phenylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxoprop-1-enyl]phenyl] dihydrogen phosphate

STAT6-IN-3 (Compound 18a) is a STAT6 inhibitor (IC50= 44 nM)

ChemicalCAS371919-80-1MW731.51FormulaC32H35IN3O7P
CAS number
371919-80-1
Molecular weight
731.51
Formula
C32H35IN3O7P
Solubility
DMSO ： 100 mg/mL (136·70 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
BKWLAOMTDOHPQG-WTUSEGCYSA-N
Catalogue number
GC71291
Brand
GLPBIO
Computed properties PubChem CID 86292327 · XLogP 5.1 · TPSA 136 Ų · H-bond donors 3
XLogP
5.1
TPSA
136 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
44

SMILES CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)I)NC(=O)/C=C/C4=CC=C(C=C4)OP(=O)(O)O

Computed descriptors from PubChem (CID 86292327), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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