MedKoo Cat#: 145097 | Name: DS-003

Description:

WARNING: This product is for research use only, not for human or veterinary use.

DS-003 is a small-molecule Gp120 inhibitor. DS003, an analogue of BMS-378806, exhibits increased inhibitory activity with longer exposure times and when combined with a fusion inhibitor, while pre-exposure to soluble CD4+ impeded DS003 binding to viral envelope. Studies suggest that DS003 is a promising candidate for pre-exposure prophylaxis due to its ability to target the CD4+ binding site of Gp120.

Chemical Structure

DS-003
DS-003
CAS#676489-50-2

Theoretical Analysis

MedKoo Cat#: 145097

Name: DS-003

CAS#: 676489-50-2

Chemical Formula: C27H22N6O3

Exact Mass: 478.1753

Molecular Weight: 478.51

Elemental Analysis: C, 67.77; H, 4.63; N, 17.56; O, 10.03

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
DS-003; DS003; DS 003; BMS-599793; BMS599793; BMS 599793;
IUPAC/Chemical Name
2-(1-(2-(4-methoxy-7-(pyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl)piperidin-4-ylidene)-2-phenylacetonitrile
InChi Key
VKIVEQAIBQDOFV-UHFFFAOYSA-N
InChi Code
1S/C27H22N6O3/c1-36-22-16-32-24(21-15-29-9-10-30-21)25-23(22)20(14-31-25)26(34)27(35)33-11-7-18(8-12-33)19(13-28)17-5-3-2-4-6-17/h2-6,9-10,14-16,31H,7-8,11-12H2,1H3
SMILES Code
COC1=C2C(=CNC2=C(N=C1)C3=CN=CC=N3)C(=O)C(=O)N4CCC(CC4)=C(C#N)C5=CC=CC=C5
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 478.51 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.

Recalculate based on batch purity %
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: Herrera C, Harman S, Aldon Y, Rogers P, Armanasco N, Ziprin P, Stieh D, Nuttall J, Shattock RJ. The entry inhibitor DS003 (BMS-599793): a BMS-806 analogue, provides superior activity as a pre-exposure prophylaxis candidate. AIDS. 2021 Oct 1;35(12):1907-1917. doi: 10.1097/QAD.0000000000002974. PMID: 34101626; PMCID: PMC8416713. 2: Walker K. Interscience Conference on Antimicrobial Agents and Chemotherapy - 50th Annual Meeting - Research on Promising New Agents: Part 1. IDrugs. 2010 Nov;13(11):743-5. PMID: 21046515.