Synonym
GSK778; GSK-778; GSK 778; iBET-BD1; iBET-Bromodomain 1;
IUPAC/Chemical Name
4-(2-(methoxymethyl)-1-((R)-1-phenylethyl)-8-(((S)-pyrrolidin-3-yl)methoxy)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
InChi Key
ZORLJXWXFABTPZ-CTNGQTDRSA-N
InChi Code
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
SMILES Code
CC1=NOC(C)=C1C2=C(OC[C@@H]3CNCC3)C=C4C5=C(N=C(COC)N5[C@H](C)C6=CC=CC=C6)C=NC4=C2
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
511.63
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Mohammed A, Waddell MB, Sutkeviciute I, Danda A, Philips SJ, Lang W, Slavish
PJ, Kietlinska SJ, Kaulage M, Sourav D, Ansari AZ. Domain-Selective BET Ligands
Yield Next-Generation Synthetic Genome Readers/Regulators with Nonidentical
Cellular Functions. J Am Chem Soc. 2023 Nov 3. doi: 10.1021/jacs.3c06297. Epub
ahead of print. PMID: 37923569.
2: Liu CS, Rioja I, Bakr A, Veldwijk MR, Sperk E, Herskind C, Weichenhan D,
Prinjha RK, Plass C, Schmezer P, Popanda O. Selective inhibitors of bromodomain
BD1 and BD2 of BET proteins modulate radiation-induced profibrotic fibroblast
responses. Int J Cancer. 2022 Jul 15;151(2):275-286. doi: 10.1002/ijc.33989.
Epub 2022 Mar 15. PMID: 35239184.
3: Mohammed A, Churion K, Danda A, Philips SJ, Ansari AZ. A "Goldilocks Zone"
for Recruiting BET Proteins with Bromodomain-1-Selective Ligands. ACS Chem Biol.
2024 Nov 15;19(11):2268-2276. doi: 10.1021/acschembio.4c00505. Epub 2024 Oct 14.
PMID: 39401417.
