MedKoo Cat#: 576002 | Name: GS-9256

Description:

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

GS-9256 is a novel HCV NS3 protease inhibitor.

Chemical Structure

GS-9256
GS-9256
CAS#1001094-46-7

Theoretical Analysis

MedKoo Cat#: 576002

Name: GS-9256

CAS#: 1001094-46-7

Chemical Formula: C46H56ClF2N6O8PS

Exact Mass: 956.3275

Molecular Weight: 957.47

Elemental Analysis: C, 57.70; H, 5.90; Cl, 3.70; F, 3.97; N, 8.78; O, 13.37; P, 3.23; S, 3.35

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
GS-9256; GS 9256; GS9256
IUPAC/Chemical Name
((2R,6S,13aR,14aS,16aS)-2-((8-chloro-2-(2-(isopropylamino)thiazol-4-yl)-7-methoxyquinolin-4-yl)oxy)-6-(((cyclopentyloxy)carbonyl)amino)-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14a(5H)-yl)(2,6-difluorobenzyl)phosphinic acid
InChi Key
RFGUWOCFYCYEDM-ZOMNBDOOSA-N
InChi Code
InChI=1S/C46H56ClF2N6O8PS/c1-26(2)50-44-52-36(25-65-44)35-21-39(30-18-19-38(61-3)40(47)41(30)51-35)62-29-20-37-42(56)54-46(64(59,60)24-31-32(48)15-11-16-33(31)49)22-27(46)12-7-5-4-6-8-17-34(43(57)55(37)23-29)53-45(58)63-28-13-9-10-14-28/h11,15-16,18-19,21,25-29,34,37H,4-10,12-14,17,20,22-24H2,1-3H3,(H,50,52)(H,53,58)(H,54,56)(H,59,60)/t27-,29-,34+,37+,46+/m1/s1
SMILES Code
COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCCCC[C@@H]5C[C@]5(NC4=O)P(=O)(O)Cc6c(F)cccc6F)NC(=O)OC7CCCC7)cc(nc2c1Cl)c8csc(NC(C)C)n8
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
Solvent mg/mL mM
Solubility
Soluble in DMSO 0.0 100.00
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 957.47 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. Yang H, Yang C, Wang Y, Rhodes G, Robinson M, Cheng G, Qi X, Mo H, Tian Y, Pakdaman R, Sheng XC, Kim CU, Delaney WE 4th. Preclinical characterization of the novel HCV NS3 protease inhibitor GS-9256. Antivir Ther. 2017;22(5):413-420. doi: 10.3851/IMP3132. Epub 2017 Jan 20. PMID: 28106531. 2. Zeuzem S, Buggisch P, Agarwal K, Marcellin P, Sereni D, Klinker H, Moreno C, Zarski JP, Horsmans Y, Mo H, Arterburn S, Knox S, Oldach D, McHutchison JG, Manns MP, Foster GR. The protease inhibitor, GS-9256, and non-nucleoside polymerase inhibitor tegobuvir alone, with ribavirin, or pegylated interferon plus ribavirin in hepatitis C. Hepatology. 2012 Mar;55(3):749-58. doi: 10.1002/hep.24744. PMID: 22006408. 3. Sheng XC, Casarez A, Cai R, Clarke MO, Chen X, Cho A, Delaney WE 4th, Doerffler E, Ji M, Mertzman M, Pakdaman R, Pyun HJ, Rowe T, Wu Q, Xu J, Kim CU. Discovery of GS-9256: a novel phosphinic acid derived inhibitor of the hepatitis C virus NS3/4A protease with potent clinical activity. Bioorg Med Chem Lett. 2012 Feb 1;22(3):1394-6. doi: 10.1016/j.bmcl.2011.12.038. Epub 2011 Dec 13. PMID: 22244938.