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Chemical structure of SIS3 HCl

GC17191

SIS3 HCl

Also known as (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one;hydrochloride

SIS3 HCl is a Smad3 inhibitor that inhibits the phosphorylation of Smad3 with an IC50 of 3 μM

ChemicalCAS521984-48-5MW489.99FormulaC28H28ClN3O3
CAS number
521984-48-5
Molecular weight
489.99
Formula
C28H28ClN3O3
Solubility
≥ 49 mg/mL in DMSO, ≥ 11 mg/mL in EtOH with ultrasonic and warming
InChIKey
CDKIEBFIMCSCBB-CALJPSDSSA-N
Catalogue number
GC17191
Brand
GLPBIO
Computed properties PubChem CID 16079005 · TPSA 56.6 Ų · H-bond donors 1 · H-bond acceptors 4
TPSA
56.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35

SMILES CN1C(=C(C2=C1N=CC=C2)/C=C/C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5.Cl

Computed descriptors from PubChem (CID 16079005), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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