MAL2-11B
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MedKoo CAT#: 563354

CAS#: 831217-43-7

Description: MAL2-11B is an inhibitor of Simian Virus 40 replication. It acts by targeting the molecular chaperone function and ATPase activity of T antigen. MAL2-11B is also a MAL3-101 precursor.


Chemical Structure

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MAL2-11B
CAS# 831217-43-7

Theoretical Analysis

MedKoo Cat#: 563354
Name: MAL2-11B
CAS#: 831217-43-7
Chemical Formula: C31H32N2O5
Exact Mass: 512.23
Molecular Weight: 512.606
Elemental Analysis: C, 72.64; H, 6.29; N, 5.47; O, 15.61

Price and Availability

Size Price Availability Quantity
5mg USD 350 2 Weeks
25mg USD 1150 2 Weeks
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Synonym: MAL2-11B; MAL2 11B; MAL211B; MAL 2 11B; MAL-2-11B; 116-9e

IUPAC/Chemical Name: 4-[1,1'-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-Pyrimidinehexanoic acid

InChi Key: GHFQWLNXJMUCGC-UHFFFAOYSA-N

InChi Code: InChI=1S/C31H32N2O5/c1-22-28(30(36)38-21-23-11-5-2-6-12-23)29(32-31(37)33(22)20-10-4-9-15-27(34)35)26-18-16-25(17-19-26)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,29H,4,9-10,15,20-21H2,1H3,(H,32,37)(H,34,35)

SMILES Code: O=C(O)CCCCCN1C(C)=C(C(OCC2=CC=CC=C2)=O)C(C3=CC=C(C4=CC=CC=C4)C=C3)NC1=O

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: 2934.99.03.00

More Info:

Product Data:
Safety Data Sheet (SDS):
Biological target: 116-9e (MAL2-11B) is a Hsp70 co-chaperone DNAJA1 inhibitor.
In vitro activity: One compound, MAL2-11B, inhibited both TAg's endogenous ATPase activity and the TAg-mediated activation of Hsp70. MAL2-11B also reduced SV40 propagation in plaque assays and compromised DNA replication in cell culture and in vitro. Furthermore, the compound significantly reduced the growth of BK virus in a human kidney cell line. Reference: Virus Res. 2009 Apr;141(1):71-80. https://pubmed.ncbi.nlm.nih.gov/19200446/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 195.08

Preparing Stock Solutions

The following data is based on the product molecular weight 512.61 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: 1. Ireland AW, Gobillot TA, Gupta T, Seguin SP, Liang M, Resnick L, Goldberg MT, Manos-Turvey A, Pipas JM, Wipf P, Brodsky JL. Synthesis and structure–activity relationships of small molecule inhibitors of the simian virus 40 T antigen oncoprotein, an anti-polyomaviral target. Bioorg Med Chem. 2014 Nov 15;22(22):6490-6502. doi: 10.1016/j.bmc.2014.09.019. PMID: 25440730; PMCID: PMC4293281. 2. Wright CM, Seguin SP, Fewell SW, Zhang H, Ishwad C, Vats A, Lingwood CA, Wipf P, Fanning E, Pipas JM, Brodsky JL. Inhibition of Simian Virus 40 replication by targeting the molecular chaperone function and ATPase activity of T antigen. Virus Res. 2009 Apr;141(1):71-80. doi: 10.1016/j.virusres.2008.12.018. Epub 2009 Feb 4. PMID: 19200446; PMCID: PMC2758074.
In vitro protocol: 1. Ireland AW, Gobillot TA, Gupta T, Seguin SP, Liang M, Resnick L, Goldberg MT, Manos-Turvey A, Pipas JM, Wipf P, Brodsky JL. Synthesis and structure–activity relationships of small molecule inhibitors of the simian virus 40 T antigen oncoprotein, an anti-polyomaviral target. Bioorg Med Chem. 2014 Nov 15;22(22):6490-6502. doi: 10.1016/j.bmc.2014.09.019. PMID: 25440730; PMCID: PMC4293281. 2. Wright CM, Seguin SP, Fewell SW, Zhang H, Ishwad C, Vats A, Lingwood CA, Wipf P, Fanning E, Pipas JM, Brodsky JL. Inhibition of Simian Virus 40 replication by targeting the molecular chaperone function and ATPase activity of T antigen. Virus Res. 2009 Apr;141(1):71-80. doi: 10.1016/j.virusres.2008.12.018. Epub 2009 Feb 4. PMID: 19200446; PMCID: PMC2758074.
In vivo protocol: TBD

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1: Ireland AW, Gobillot TA, Gupta T, Seguin SP, Liang M, Resnick L, Goldberg MT, Manos-Turvey A, Pipas JM, Wipf P, Brodsky JL. Synthesis and structure–activity relationships of small molecule inhibitors of the simian virus 40 T antigen oncoprotein, an anti-polyomaviral target. Bioorg Med Chem. 2014 Nov 15;22(22):6490-6502. doi: 10.1016/j.bmc.2014.09.019. PubMed PMID: 25440730; PubMed Central PMCID: PMC4293281.

2: Wright CM, Seguin SP, Fewell SW, Zhang H, Ishwad C, Vats A, Lingwood CA, Wipf P, Fanning E, Pipas JM, Brodsky JL. Inhibition of Simian Virus 40 replication by targeting the molecular chaperone function and ATPase activity of T antigen. Virus Res. 2009 Apr;141(1):71-80. doi: 10.1016/j.virusres.2008.12.018. Epub 2009 Feb 4. PubMed PMID: 19200446; PubMed Central PMCID: PMC2758074.