Neceprevir

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MedKoo CAT#: 584837

CAS#: 1229626-28-1

Description: Neceprevir is a potential treatment for Hepatitis C.


Price and Availability

Size Price Shipping out time Quantity
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Pricing updated 2020-09-28. Prices are subject to change without notice.

Neceprevir is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 584837
Name: Neceprevir
CAS#: 1229626-28-1
Chemical Formula: C45H56F2N6O8S2
Exact Mass: 910.3569
Molecular Weight: 911.0938
Elemental Analysis: C, 59.32; H, 6.20; F, 4.17; N, 9.22; O, 14.05; S, 7.04


Synonym: Deldeprevir; Neceprevir

IUPAC/Chemical Name: (2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-(2-(3,3-difluoropiperidin-1-yl)- 2-oxoethyl)-2-({7-methoxy-8-methyl-2-(4-(1-methylethyl)thiazol-2-yl)quinolin-4-yl}oxy)- 5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a- tetradecahydrocyclopropa(e)pyrrolo(1,2-a)(1,4)diazacyclopentadecine-14a(5H)- carboxamide

InChi Key: UDMJANYPQWEDFT-ZAWFUYGJSA-N

InChi Code: InChI=1S/C45H56F2N6O8S2/c1-26(2)34-24-62-41(49-34)33-21-37(32-15-16-36(60-4)27(3)39(32)48-33)61-30-20-35-40(55)50-45(43(57)51-63(58,59)31-13-14-31)22-29(45)12-9-7-5-6-8-11-28(42(56)53(35)23-30)19-38(54)52-18-10-17-44(46,47)25-52/h9,12,15-16,21,24,26,28-31,35H,5-8,10-11,13-14,17-20,22-23,25H2,1-4H3,(H,50,55)(H,51,57)/b12-9-/t28-,29-,30-,35+,45-/m1/s1

SMILES Code: O=C([C@]([C@]1([H])/C=C\CCCCC[C@@H]2CC(N3CC(F)(F)CCC3)=O)(C1)NC([C@@](C[C@@H](OC4=CC(C5=NC(C(C)C)=CS5)=NC6=C(C)C(OC)=CC=C46)C7)([H])N7C2=O)=O)NS(=O)(C8CC8)=O


Technical Data

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:
2934.99.9001


References

1: De Clercq E. Current race in the development of DAAs (direct-acting antivirals) against HCV. Biochem Pharmacol. 2014 Jun 15;89(4):441-52. doi: 10.1016/j.bcp.2014.04.005. Epub 2014 Apr 13. PubMed PMID: 24735613.