Bentysrepinine

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

MedKoo CAT#: 527418

CAS#: 934264-38-7

Description: Bentysrepinine, also known as Y-101, is a novel anti-HBV agent inhibiting DNA-HBV and cccDNA activities for the treatment of hepatitis B virus (HBV)-infected hepatitis.


Price and Availability

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Bentysrepinine (Y-101) 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#: 527418
Name: Bentysrepinine
CAS#: 934264-38-7
Chemical Formula: C29H35N3O4
Exact Mass: 489.2628
Molecular Weight: 489.616
Elemental Analysis: C, 71.14; H, 7.21; N, 8.58; O, 13.07


Synonym: Bentysrepinine; Y101; Y-101; Y 101

IUPAC/Chemical Name: N-((S)-3-(4-(2-(dimethylamino)ethoxy)phenyl)-1-(((S)-1-hydroxy-3-phenylpropan-2-yl)amino)-1-oxopropan-2-yl)benzamide

InChi Key: XWEMGJQQCSSGPN-BDYUSTAISA-N

InChi Code: InChI=1S/C29H35N3O4/c1-32(2)17-18-36-26-15-13-23(14-16-26)20-27(31-28(34)24-11-7-4-8-12-24)29(35)30-25(21-33)19-22-9-5-3-6-10-22/h3-16,25,27,33H,17-21H2,1-2H3,(H,30,35)(H,31,34)/t25-,27-/m0/s1

SMILES Code: O=C(N[C@@H](CC1=CC=C(OCCN(C)C)C=C1)C(N[C@@H](CC2=CC=CC=C2)CO)=O)C3=CC=CC=C3


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:
>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).

Harmonized System Code:
293490


References

1: Fan H, Li R, Gu Y, Si D, Liu C. Quantitation of bentysrepinine (Y101) in rat plasma by liquid chromatography tandem mass spectrometry: application to pharmacokinetic study. J Chromatogr B Analyt Technol Biomed Life Sci. 2012 Mar 15;889-890:103-9. doi: 10.1016/j.jchromb.2012.02.002. PubMed PMID: 22366283.

2: Fan H, Hu Z, Li R, Dong S, Gu Y, Liu T, Si D, Liang G, Liu C. Metabolite identification of bentysrepinine (Y101), a novel anti-HBV agent in rats using a five-step strategy based on a combined workflow with two different platforms of liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2017 Jan 1;1040:118-128. doi: 10.1016/j.jchromb.2016.12.008. PubMed PMID: 27978466.