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MedKoo Cat#: 535751 | Name: MB 3

Description:

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

MB 3 is a biaoctive chemical.

Chemical Structure

MB 3
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: 465.01

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 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
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 465.01 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
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.