Synonym
GW-841819X; GW841819X; GW 841819X; GW 841819; GW841819; GW-841819.
IUPAC/Chemical Name
benzyl (R)-(6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)carbamate
InChi Key
GWCVVMLABUZZCV-DEOSSOPVSA-N
InChi Code
InChI=1S/C26H22ClN5O3/c1-16-30-31-25-24(29-26(33)35-15-17-6-4-3-5-7-17)28-23(18-8-10-19(27)11-9-18)21-14-20(34-2)12-13-22(21)32(16)25/h3-14,24H,15H2,1-2H3,(H,29,33)/t24-/m0/s1
SMILES Code
O=C(OCC1=CC=CC=C1)N[C@H]2C3=NN=C(C)N3C4=CC=C(OC)C=C4C(C5=CC=C(Cl)C=C5)=N2
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, not in water
Shelf Life
>2 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
487.94
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 |
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Finkel, T. H., J. Wang, et al. Compositions and methods comprising bromodomain (BET) antagonists for the treatment of HIV infection: 37pp.
Finkel, T. H., J. Wang, et al. Compositions and methods for the treatment of HIV infection using a bromodomain and extra-terminal (BET) protein antagonist: 27 pp., Cont.-in-part of Appl. No. PCT/US2012/048809.
Freidinger, R. M., B. E. Evans, et al. (1992). Preparation of triazolobenzodiazepines as CCK and gastrin antagonists: 93 pp.
Mirguet, O., R. Gosmini, et al. "Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains." J. Med. Chem. 56(19): 7501-7515.
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Zhao, Y., C.-Y. Yang, et al. "The Making of I-BET762, a BET Bromodomain Inhibitor Now in Clinical Development." J. Med. Chem. 56(19): 7498-7500.
