SMAD3 Inhibtor, SIS 3

cas: 1009104-85-1 — see every product listed under this CAS number, including other names

SMAD3 Inhibtor, SIS 3 (CAS 1009104-85-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-S564500-100MG
cas1009104-85-1
size100mg
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TRC 100mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

SIS3 free base is an enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid. It has a role as a Smad3 inhibitor. It is a tertiary carboxamide, a member of isoquinolines, a monocarboxylic acid amide, an aromatic ether, a pyrrolopyridine and an enamide. It is a conjugate base of a SIS3 free base(1+).

Source: ChEBI

Identity
Molecular formulaC28H27N3O3
Molecular weight453.5 g/mol
IUPAC name(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
InChIKeyIJYPHMXWKKKHGT-VAWYXSNFSA-N
SMILESCN1C(=C(C2=C1N=CC=C2)/C=C/C(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: Smad3 Inhibitor, SIS3, (E/Z)-SIS3 (free base), Smad3 Inhibitor, Smad3 inhibitor SIS3, starbld0007641, (E/Z)-SIS3 free base, orb1708519, s3552
Related forms of this compound
(E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-phenyl-1-(trideuteriomethyl)pyrrolo[2,3-b]pyridin-3-yl]prop-2-en-1-one C28H27N3O3
Isomers (same molecular formula)
methyl (2S)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoate C28H27N3O3
[4-[(2S)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate C28H27N3O3
[4-[(2R)-3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]methyl 2,4-dimethylbenzoate C28H27N3O3

Also listed as

1-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one, 97%, 97% Chemat CAS 1009104-85-1
SMAD3 Inhibitor, SIS3 GLPBio CAS 1009104-85-1
Smad3 Inhibitor, SIS3 Biosynth CAS 1009104-85-1
(E/Z)-SIS3 free base 97% Ambeed CAS 1009104-85-1
Smad3 Inhibitor, SIS3 1PC X 100MG Sigma-Aldrich CAS 1009104-85-1
Smad3 Inhibitor, SIS3 1PC X 1MG Sigma-Aldrich CAS 1009104-85-1
Smad3 Inhibitor, SIS3 1PC X 200MG Sigma-Aldrich CAS 1009104-85-1