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SML3234

Sigma-Aldrich

GSK778 Hydrochloride

≥98% (HPLC)

Synonym(s):

4-{2-(Methoxymethyl)-1-[(R)-1-phenylethyl]-8-[(S)-pyrrolidin-3-ylmethoxy]-1H-imidazo[4,5-c]quinolin-7-yl}-3,5-dimethylisoxazole Hydrochloride, iBET-BD1 Hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C30H33N5O3 · xHCl
Molecular Weight:
511.61 (free base basis)
MDL number:
MFCD33402173
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

C[C@H](C1=CC=CC=C1)N2C(COC)=NC3=C2C(C=C4OC[C@@H]5CNCC5)=C(N=C3)C=C4C6=C(C)ON=C6C

InChI

1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1

InChI key

ZORLJXWXFABTPZ-CTNGQTDRSA-N

Biochem/physiol Actions

GSK778 (iBET-BD1) is a potent and highly selective inhibitor of bromodomain BD1 of BRD2, BDR3, BRD4, BRDT. GSK778 (iBET-BD1) potently inhibits numerous cancer cells proliferation, inducing cell cycle arrest and apoptosis.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000220401
0000220400
0000199005

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Structure-Based Design of a Bromodomain and Extraterminal Domain (BET) Inhibitor Selective for the N-Terminal Bromodomains That Retains an Anti-inflammatory and Antiproliferative Phenotype
Soden PE, Taylor S, Watson RJ, Willis R, Woolven JM, Wyspianska BS, Kerr WJ, Prinjha RK
Journal of Medicinal Chemistry, 63, 9020-9044 (2020)
Omer Gilan et al.
Science (New York, N.Y.), 368(6489), 387-394 (2020-03-21)
The two tandem bromodomains of the BET (bromodomain and extraterminal domain) proteins enable chromatin binding to facilitate transcription. Drugs that inhibit both bromodomains equally have shown efficacy in certain malignant and inflammatory conditions. To explore the individual functional contributions of

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