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MedKoo Cat#: 575623 | Name: Fostemsavir dihydrate

Description:

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

Fostemsavir dihydrate is an HIV-1 attachment inhibitor.

Chemical Structure

Fostemsavir dihydrate
Fostemsavir dihydrate
CAS#942117-71-7 (dihydrate)

Theoretical Analysis

MedKoo Cat#: 575623

Name: Fostemsavir dihydrate

CAS#: 942117-71-7 (dihydrate)

Chemical Formula: C25H30N7O10P

Exact Mass: 0.0000

Molecular Weight: 619.53

Elemental Analysis: C, 48.47; H, 4.88; N, 15.83; O, 25.82; P, 5.00

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.
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Related CAS #
864953-29-7(free base) 942117-71-7 (dihydrate) 864953-31-1 (disodium) 864953-39-9 (tromethamine)
Synonym
BMS-663068 dihydrate; BMS 663068 dihydrate; BMS663068 dihydrate; Fostemsavir dihydrate
IUPAC/Chemical Name
1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-C)pyridin-3-yl)-, hydrate (1:2)
InChi Key
IHIJOICKAIGEIR-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H26N7O8P.2H2O/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17;;/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38);2*1H2
SMILES Code
CC1=NN(C2=NC=C(OC)C3=C2N(COP(O)(O)=O)C=C3C(C(N4CCN(C(C5=CC=CC=C5)=O)CC4)=O)=O)C=N1.[H]O[H].[H]O[H]
Appearance
Solid powder
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
>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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 619.53 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: Lalezari JP, Latiff GH, Brinson C, Echevarría J, Treviño-Pérez S, Bogner JR, Thompson M, Fourie J, Sussmann Pena OA, Mendo Urbina FC, Martins M, Diaconescu IG, Stock DA, Joshi SR, Hanna GJ, Lataillade M; AI438011 study team. Safety and efficacy of the HIV-1 attachment inhibitor prodrug BMS-663068 in treatment-experienced individuals: 24 week results of AI438011, a phase 2b, randomised controlled trial. Lancet HIV. 2015 Oct;2(10):e427-37. doi: 10.1016/S2352-3018(15)00177-0. Epub 2015 Sep 1. PubMed PMID: 26423650. 2: Ballana E, Esté JA. BMS-663068, a safe and effective HIV-1 attachment inhibitor. Lancet HIV. 2015 Oct;2(10):e404-5. doi: 10.1016/S2352-3018(15)00160-5. Epub 2015 Sep 2. PubMed PMID: 26423643. 3: Zhang XQ. [The newest developments of the study on anti-HIV drugs]. Yao Xue Xue Bao. 2015 May;50(5):509-15. Review. Chinese. PubMed PMID: 26234128. 4: Patel RV, Park SW. Pyrroloaryls and pyrroloheteroaryls: Inhibitors of the HIV fusion/attachment, reverse transcriptase and integrase. Bioorg Med Chem. 2015 Sep 1;23(17):5247-63. doi: 10.1016/j.bmc.2015.06.016. Epub 2015 Jun 14. Review. PubMed PMID: 26116177. 5: Zhu L, Hruska M, Hwang C, Shah V, Furlong M, Hanna GJ, Bertz R, Landry IS. Pharmacokinetic interactions between BMS-626529, the active moiety of the HIV-1 attachment inhibitor prodrug BMS-663068, and ritonavir or ritonavir-boosted atazanavir in healthy subjects. Antimicrob Agents Chemother. 2015 Jul;59(7):3816-22. doi: 10.1128/AAC.04914-14. Epub 2015 Apr 13. PubMed PMID: 25870057; PubMed Central PMCID: PMC4468697.