Synonym
BMS-818251; BMS 818251; BMS818251;
IUPAC/Chemical Name
4-(3-(2-(4-(Cyano(phenyl)methylene)piperidin-1-yl)-2-oxoacetyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-(2-hydroxyethyl)thiazole-2-carboxamide
InChi Key
ZVQKONGCGRQCEO-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H26N6O5S/c1-40-22-15-33-24(21-16-41-28(34-21)27(38)31-9-12-36)25-23(22)20(14-32-25)26(37)29(39)35-10-7-18(8-11-35)19(13-30)17-5-3-2-4-6-17/h2-6,14-16,32,36H,7-12H2,1H3,(H,31,38)
SMILES Code
O=C(C1=NC(C2=NC=C(OC)C3=C2NC=C3C(C(N4CC/C(CC4)=C(C#N)\C5=CC=CC=C5)=O)=O)=CS1)NCCO
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
570.62
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: Lai YT, Wang T, O'Dell S, Louder MK, Schön A, Cheung CSF, Chuang GY, Druz A, Lin B, McKee K, Peng D, Yang Y, Zhang B, Herschhorn A, Sodroski J, Bailer RT, Doria-Rose NA, Mascola JR, Langley DR, Kwong PD. Lattice engineering enables definition of molecular features allowing for potent small-molecule inhibition of HIV-1 entry. Nat Commun. 2019 Jan 3;10(1):47. doi: 10.1038/s41467-018-07851-1. PubMed PMID: 30604750; PubMed Central PMCID: PMC6318274.
