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

MedKoo CAT#: 562366

CAS#: 1870007-38-7

Description: MB21 is an inhibitor of dengue type 2 protease. It acts by inhibiting each one of the four serotypes of dengue viruses in infected cells in culture.

Chemical Structure

CAS# 1870007-38-7

Theoretical Analysis

MedKoo Cat#: 562366
Name: MB21
CAS#: 1870007-38-7
Chemical Formula: C21H12ClN3O2S
Exact Mass: 405.0339
Molecular Weight: 405.85
Elemental Analysis: C, 62.15; H, 2.98; Cl, 8.73; N, 10.35; O, 7.88; S, 7.90

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.

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Synonym: MB21; MB-21; MB 21;

IUPAC/Chemical Name: (E)-4-{5-[2-(5-Chloro-1H-benzoimidazol-2-yl)-2-cyano-vinyl]-thiophen-2-yl}-benzoic acid


InChi Code: InChI=1S/C21H12ClN3O2S/c22-15-5-7-17-18(10-15)25-20(24-17)14(11-23)9-16-6-8-19(28-16)12-1-3-13(4-2-12)21(26)27/h1-10H,(H,24,25)(H,26,27)/b14-9+

SMILES Code: O=C(O)C1=CC=C(C2=CC=C(/C=C(C3=NC4=CC(Cl)=CC=C4N3)\C#N)S2)C=C1

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

Preparing Stock Solutions

The following data is based on the product molecular weight 405.85 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

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1: Mirza SB, Lee RCH, Chu JJH, Salmas RE, Mavromoustakos T, Durdagi S. Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies. J Mol Graph Model. 2018 Jan;79:88-102. doi: 10.1016/j.jmgm.2017.10.010. Epub 2017 Oct 24. PubMed PMID: 29156382.

2: Mirza SB, Lee RCH, Chu JJH, Salmas RE, Mavromoustakos T, Durdagi S. Discovery of selective dengue virus inhibitors using combination of molecular fingerprint-based virtual screening protocols, structure-based pharmacophore model development, molecular dynamics simulations and in vitro studies. J Mol Graph Model. 2017 Aug 9;77:338. doi: 10.1016/j.jmgm.2017.08.006. [Epub ahead of print] PubMed PMID: 28957754.

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7: Guo WX, Pye QN, Williamson KS, Stewart CA, Hensley KL, Kotake Y, Floyd RA, Broyles RH. Mitochondrial dysfunction in choline deficiency-induced apoptosis in cultured rat hepatocytes. Free Radic Biol Med. 2005 Sep 1;39(5):641-50. PubMed PMID: 16085182.

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10: Shepherd CM, Vogel HJ, Tieleman DP. Interactions of the designed antimicrobial peptide MB21 and truncated dermaseptin S3 with lipid bilayers: molecular-dynamics simulations. Biochem J. 2003 Feb 15;370(Pt 1):233-43. PubMed PMID: 12423203; PubMed Central PMCID: PMC1223151.

11: Moll GN, Brul S, Konings WN, Driessen AJ. Comparison of the membrane interaction and permeabilization by the designed peptide Ac-MB21-NH2 and truncated dermaseptin S3. Biochemistry. 2000 Oct 3;39(39):11907-12. PubMed PMID: 11009603.

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