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MedKoo Cat#: 564641 | Name: BMS-821095

Description:

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

BMS-821095 is a potent, orally bioavailable, metabolically stable thumb site 1 inhibitor of the hepatitis C virus NS5B RNA-dependent, RNA polymerase.

Chemical Structure

BMS-821095
BMS-821095
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564641

Name: BMS-821095

CAS#: NONE

Chemical Formula: C37H46N4O5S

Exact Mass: 658.3189

Molecular Weight: 658.86

Elemental Analysis: C, 67.45; H, 7.04; N, 8.50; O, 12.14; S, 4.87

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 #
No Data
Synonym
BMS821095; BMS 821095; BMS-821095
IUPAC/Chemical Name
(4bS,5aR)-12-Cyclohexyl-N-(isopropylsulfonyl)-3-methoxy-5a-((1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)-4b,5,5a,6-tetrahydrobenzo[3,4]cyclopropa[5,6]-azepino[1,2-a]indole-9-carboxamide
InChi Key
JPJKSDFDJRQMNC-JNNSWRJTSA-N
InChi Code
InChI=1S/C37H46N4O5S/c1-22(2)47(44,45)38-35(42)24-10-14-29-32(16-24)40-21-37(36(43)41-25-11-12-26(41)20-39(3)19-25)18-31(37)30-17-27(46-4)13-15-28(30)34(40)33(29)23-8-6-5-7-9-23/h10,13-17,22-23,25-26,31H,5-9,11-12,18-21H2,1-4H3,(H,38,42)/t25-,26+,31-,37-/m0/s1
SMILES Code
O=C(C1=CC2=C(C=C1)C(C3CCCCC3)=C4N2C[C@]5(C(N6[C@@]7([H])CN(C)C[C@]6([H])CC7)=O)[C@](C5)([H])C8=CC(OC)=CC=C84)NS(=O)(C(C)C)=O
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
>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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 658.86 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: Abe H, Hayes CN, Hiraga N, Imamura M, Tsuge M, Miki D, Takahashi S, Ochi H, Chayama K. A translational study of resistance emergence using sequential direct-acting antiviral agents for hepatitis C using ultra-deep sequencing. Am J Gastroenterol. 2013 Sep;108(9):1464-72. doi: 10.1038/ajg.2013.205. Epub 2013 Jul 30. PubMed PMID: 23896953. 2: Shi N, Hiraga N, Imamura M, Hayes CN, Zhang Y, Kosaka K, Okazaki A, Murakami E, Tsuge M, Abe H, Aikata H, Takahashi S, Ochi H, Tateno-Mukaidani C, Yoshizato K, Matsui H, Kanai A, Inaba T, McPhee F, Gao M, Chayama K. Combination therapies with NS5A, NS3 and NS5B inhibitors on different genotypes of hepatitis C virus in human hepatocyte chimeric mice. Gut. 2013 Jul;62(7):1055-61. doi: 10.1136/gutjnl-2012-302600. Epub 2013 Jan 15. PubMed PMID: 23322441.