MB 3

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

MedKoo CAT#: 535751

CAS#: 42207-96-5

Description: MB 3 is a biaoctive chemical.


Chemical Structure

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MB 3
CAS# 42207-96-5

Theoretical Analysis

MedKoo Cat#: 535751
Name: MB 3
CAS#: 42207-96-5
Chemical Formula: C22H29ClN4O3S
Exact Mass: 464.1649
Molecular Weight: 465.009
Elemental Analysis: C, 56.83; H, 6.29; Cl, 7.62; N, 12.05; O, 10.32; S, 6.89

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: MB 3; MB-3; MB3

IUPAC/Chemical Name: N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-1-methyl-2-((3-(4-methylphenyl)-3-oxopropyl)thio)-1-butenyl)formamide, monohydrochloride

InChi Key: ZJZCTCNQTXBBFZ-JEBHESKQSA-N

InChi Code: InChI=1S/C22H28N4O3S.ClH/c1-15-4-6-18(7-5-15)20(29)9-11-30-21(8-10-27)16(2)26(14-28)13-19-12-24-17(3)25-22(19)23;/h4-7,12,14,27H,8-11,13H2,1-3H3,(H2,23,24,25);1H/b21-16+;

SMILES Code: O=CN(CC1=CN=C(C)N=C1N)/C(C)=C(SCCC(C2=CC=C(C)C=C2)=O)\CCO.[H]Cl

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

Preparing Stock Solutions

The following data is based on the product molecular weight 465.009 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: Tzelepis K, Koike-Yusa H, De Braekeleer E, Li Y, Metzakopian E, Dovey OM, Mupo A, Grinkevich V, Li M, Mazan M, Gozdecka M, Ohnishi S, Cooper J, Patel M, McKerrell T, Chen B, Domingues AF, Gallipoli P, Teichmann S, Ponstingl H, McDermott U, Saez-Rodriguez J, Huntly BJP, Iorio F, Pina C, Vassiliou GS, Yusa K. A CRISPR Dropout Screen Identifies Genetic Vulnerabilities and Therapeutic Targets in Acute Myeloid Leukemia. Cell Rep. 2016 Oct 18;17(4):1193-1205. doi: 10.1016/j.celrep.2016.09.079. PMID: 27760321; PMCID: PMC5081405.

2: Liu XR , Chen XM , Zhang J , Jensen TR , Chen X . The interconversion between THF·B3H7 and B3H8-: an efficient synthetic method for MB3H8 (M = Li and Na). Dalton Trans. 2019 Apr 16;48(16):5140-5143. doi: 10.1039/c9dt00843h. PMID: 30916702.

3: Chen XM, Ma N, Liu XR, Wei C, Cui CC, Cao BL, Guo Y, Wang LS, Gu Q, Chen X. Facile Synthesis of Unsolvated Alkali Metal Octahydrotriborate Salts MB3 H8 (M=K, Rb, and Cs), Mechanisms of Formation, and the Crystal Structure of KB3 H8. Angew Chem Int Ed Engl. 2019 Feb 25;58(9):2720-2724. doi: 10.1002/anie.201812795. Epub 2019 Feb 1. PMID: 30666766.

4: Gruberg L, Mehran R, Waksman R, Dangas G, Fuchs S, Wu H, Kent KM, Pichard AD, Satler LF, Stone GW, Leon MB. Creatine kinase-MB fraction elevation after percutaneous coronary intervention in patients with chronic renal failure. Am J Cardiol. 2001 Jun 15;87(12):1356-60. doi: 10.1016/s0002-9149(01)01552-1. PMID: 11397353.

5: Chen J, Jiang Z, Zhou X, Sun X, Cao J, Liu Y, Wang X. Dexmedetomidine Preconditioning Protects Cardiomyocytes Against Hypoxia/Reoxygenation-Induced Necroptosis by Inhibiting HMGB1-Mediated Inflammation. Cardiovasc Drugs Ther. 2019 Feb;33(1):45-54. doi: 10.1007/s10557-019-06857-1. PMID: 30675709.

6: Testa S, Legnani C, Antonucci E, Paoletti O, Dellanoce C, Cosmi B, Pengo V, Poli D, Morandini R, Testa R, Tripodi A, Palareti G; Coordinator of START2-Register. Drug levels and bleeding complications in atrial fibrillation patients treated with direct oral anticoagulants. J Thromb Haemost. 2019 Jul;17(7):1064-1072. doi: 10.1111/jth.14457. Epub 2019 May 26. PMID: 31013383; PMCID: PMC6852698.

7: Chen XM, Ma N, Zhang QF, Wang J, Feng X, Wei C, Wang LS, Zhang J, Chen X. Elucidation of the Formation Mechanisms of the Octahydrotriborate Anion (B3H8-) through the Nucleophilicity of the B-H Bond. J Am Chem Soc. 2018 May 30;140(21):6718-6726. doi: 10.1021/jacs.8b03785. Epub 2018 May 16. PMID: 29732884.

8: Ajani AE, Waksman R, Sharma AK, Lew R, Pinnow E, Canos DA, Cheneau E, Castagna M, Cha DH, Leborgne L, Satler LF, Pichard AD, Kent KM, Lindsay J. Usefulness of periprocedural creatinine phosphokinase-MB release to predict adverse outcomes after intracoronary radiation therapy for in-stent restenosis. Am J Cardiol. 2004 Feb 1;93(3):313-7. doi: 10.1016/j.amjcard.2003.10.010. PMID: 14759380.

9: Yang Y, Meyer CH, Epstein FH, Kramer CM, Salerno M. Whole-heart spiral simultaneous multi-slice first-pass myocardial perfusion imaging. Magn Reson Med. 2019 Feb;81(2):852-862. doi: 10.1002/mrm.27412. Epub 2018 Oct 12. PMID: 30311689; PMCID: PMC6289615.

10: Luo Y, Jia B, Yan K, Liu S, Song X, Chen M, Jin F, Du Y, Wang J, Hong Y, Cao S, Li D, Dong M. Pilot study of a novel multi-functional noninvasive prenatal test on fetus aneuploidy, copy number variation, and single-gene disorder screening. Mol Genet Genomic Med. 2019 Apr;7(4):e00597. doi: 10.1002/mgg3.597. Epub 2019 Feb 14. PMID: 30767419; PMCID: PMC6465655.