Vincapusine | CAS#80248-97-1 | Natural 3CLpro inhibitor

MedKoo Cat#: 463617 | Name: Vincapusine

Description:

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

Vincapusine is a natural inhibitor of 3C-like protease (3CLpro), targeting SARS-CoV-2 3CLpro, SARS-CoV 3CLpro and MERS-CoV 3CLpro.

Chemical Structure

Vincapusine

CAS#80248-97-1

Theoretical Analysis

MedKoo Cat#: 463617

Name: Vincapusine

CAS#: 80248-97-1

Chemical Formula: C21H24N2O4

Exact Mass: 368.1736

Molecular Weight: 368.43

Elemental Analysis: C, 68.46; H, 6.57; N, 7.60; O, 17.37

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

Vincapusine;

IUPAC/Chemical Name

methyl (1S,2S,41S,12S,13aS)-13a-ethyl-2-hydroxy-2,3,5,6,13,13a-hexahydro-1H-1,12-epoxyindolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12(41H)-carboxylate

InChi Key

HWNBUNNVNRZPQO-XEOJFFABSA-N

InChi Code

InChI=1S/C21H24N2O4/c1-3-20-11-21(19(25)26-2)23-14-7-5-4-6-12(14)13-8-9-22(17(20)16(13)23)10-15(24)18(20)27-21/h4-7,15,17-18,24H,3,8-11H2,1-2H3/t15-,17+,18+,20-,21-/m0/s1

SMILES Code

O=C([C@@]12O[C@]3([H])[C@@H](O)CN4CCC5=C(N2C6=CC=CC=C56)[C@]4([H])[C@]3(CC)C1)OC

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 368.43 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.

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: Bahadur Gurung A, Ajmal Ali M, Lee J, Abul Farah M, Mashay Al-Anazi K. Structure-based virtual screening of phytochemicals and repurposing of FDA approved antiviral drugs unravels lead molecules as potential inhibitors of coronavirus 3C-like protease enzyme. J King Saud Univ Sci. 2020 Sep;32(6):2845-2853. doi: 10.1016/j.jksus.2020.07.007. Epub 2020 Jul 17. PMID: 32837113; PMCID: PMC7366079. 2: Moldvai I, Gati T, Szantay C Jr, Szantay C. Syntheses of vinca alkaloids and related compounds. 104. A concise synthesis of (-)-vincapusine. J Org Chem. 2006 May 12;71(10):3768-72. doi: 10.1021/jo0602266. PMID: 16674048.