MB21 | CAS#1870007-38-7 | dengue 2 protease inhibitor

MedKoo Cat#: 562366 | Name: MB21

Description:

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

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

MB21

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 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

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 Key

KCRGBCOERUHZLY-NTEUORMPSA-N

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

More Info

Instruction

View handling instruction

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.

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: 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. 3: Oyer JL, Pandey V, Igarashi RY, Somanchi SS, Zakari A, Solh M, Lee DA, Altomare DA, Copik AJ. Natural killer cells stimulated with PM21 particles expand and biodistribute in vivo: Clinical implications for cancer treatment. Cytotherapy. 2016 May;18(5):653-63. doi: 10.1016/j.jcyt.2016.02.006. PubMed PMID: 27059202. 4: Raut R, Beesetti H, Tyagi P, Khanna I, Jain SK, Jeankumar VU, Yogeeswari P, Sriram D, Swaminathan S. A small molecule inhibitor of dengue virus type 2 protease inhibits the replication of all four dengue virus serotypes in cell culture. Virol J. 2015 Feb 8;12:16. doi: 10.1186/s12985-015-0248-x. PubMed PMID: 25886260; PubMed Central PMCID: PMC4327787. 5: Solanki MK, Singh RK, Srivastava S, Kumar S, Kashyap PL, Srivastava AK, Arora DK. Isolation and characterization of siderophore producing antagonistic rhizobacteria against Rhizoctonia solani. J Basic Microbiol. 2014 Jun;54(6):585-97. doi: 10.1002/jobm.201200564. Epub 2013 May 20. PubMed PMID: 23686438. 6: Küçük C, Iqbal J, Hu X, Gaulard P, De Leval L, Srivastava G, Au WY, McKeithan TW, Chan WC. PRDM1 is a tumor suppressor gene in natural killer cell malignancies. Proc Natl Acad Sci U S A. 2011 Dec 13;108(50):20119-24. doi: 10.1073/pnas.1115128108. Epub 2011 Dec 5. PubMed PMID: 22143801; PubMed Central PMCID: PMC3250125. 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. 8: Bitsch M, Saunte DM, Lohmann M, Holstein PE, Jørgensen B, Gottrup F. Standardised method of surgical treatment of chronic leg ulcers. Scand J Plast Reconstr Surg Hand Surg. 2005;39(3):162-9. PubMed PMID: 16019749. 9: Bom IJ, Klis FM, de Nobel H, Brul S. A new strategy for inhibition of the spoilage yeasts Saccharomyces cerevisiae and Zygosaccharomyces bailii based on combination of a membrane-active peptide with an oligosaccharide that leads to an impaired glycosylphosphatidylinositol (GPI)-dependent yeast wall protein layer. FEMS Yeast Res. 2001 Dec;1(3):187-94. PubMed PMID: 12702343. 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. 12: ter Steeg PF, Hellemons JC, Kok AE. Synergistic actions of nisin, sublethal ultrahigh pressure, and reduced temperature on bacteria and yeast. Appl Environ Microbiol. 1999 Sep;65(9):4148-54. PubMed PMID: 10473428; PubMed Central PMCID: PMC99753. 13: Sherman MI. Long term culture of cells derived from mouse blastocysts. Differentiation. 1975 Aug 11;3(1-3):51-67. PubMed PMID: 1183760.