Vincapusine

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

MedKoo CAT#: 463617

CAS#: 80248-97-1

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

Chemical Structure

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Vincapusine
CAS# 80248-97-1
Instruction

Theoretical Analysis

MedKoo Cat#: 463617
Name: Vincapusine
CAS#: 80248-97-1
Chemical Formula: C21H24N2O4
Exact Mass: 368.17
Molecular Weight: 368.433
Elemental Analysis: C, 68.46; H, 6.57; N, 7.60; O, 17.37

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.