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MedKoo Cat#: 563240 | Name: MAL3-101

Description:

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

MAL3-101 is a heat shock protein 70 molecular chaperone inhibitor.

Chemical Structure

MAL3-101
MAL3-101
CAS#831217-40-4

Theoretical Analysis

MedKoo Cat#: 563240

Name: MAL3-101

CAS#: 831217-40-4

Chemical Formula: C54H66N4O10

Exact Mass: 930.4779

Molecular Weight: 931.14

Elemental Analysis: C, 69.66; H, 7.14; N, 6.02; O, 17.18

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
MAL3-101; MAL3 101; MAL3101;
IUPAC/Chemical Name
benzyl 4-([1,1'-biphenyl]-4-yl)-1-(6-((2-(butylamino)-1-(4-(2-methoxy-2-oxoethoxy)-3-(methoxycarbonyl)phenyl)-2-oxoethyl)(hexyl)amino)-6-oxohexyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
InChi Key
LDECUSDQMXVUMP-UHFFFAOYSA-N
InChi Code
InChI=1S/C54H66N4O10/c1-6-8-10-19-34-58(50(51(61)55-32-9-7-2)43-30-31-45(67-37-47(60)65-4)44(35-43)52(62)66-5)46(59)25-18-13-20-33-57-38(3)48(53(63)68-36-39-21-14-11-15-22-39)49(56-54(57)64)42-28-26-41(27-29-42)40-23-16-12-17-24-40/h11-12,14-17,21-24,26-31,35,49-50H,6-10,13,18-20,25,32-34,36-37H2,1-5H3,(H,55,61)(H,56,64)
SMILES Code
O=C(C1=C(C)N(CCCCCC(N(C(C2=CC=C(OCC(OC)=O)C(C(OC)=O)=C2)C(NCCCC)=O)CCCCCC)=O)C(NC1C3=CC=C(C4=CC=CC=C4)C=C3)=O)OCC5=CC=CC=C5
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

Preparing Stock Solutions

The following data is based on the product molecular weight 931.14 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: Xing B, Wang L, Li Q, Cao Y, Dong X, Liang J, Wu X. Hsp70 plays an important role in high-fat diet induced gestational hyperglycemia in mice. J Physiol Biochem. 2015 Dec;71(4):649-58. doi: 10.1007/s13105-015-0430-z. Epub 2015 Aug 29. PubMed PMID: 26318018. 2: Adam C, Baeurle A, Brodsky JL, Wipf P, Schrama D, Becker JC, Houben R. The HSP70 modulator MAL3-101 inhibits Merkel cell carcinoma. PLoS One. 2014 Apr 2;9(4):e92041. doi: 10.1371/journal.pone.0092041. eCollection 2014. PubMed PMID: 24694787; PubMed Central PMCID: PMC3973671. 3: Kilpatrick K, Novoa JA, Hancock T, Guerriero CJ, Wipf P, Brodsky JL, Segatori L. Chemical induction of Hsp70 reduces α-synuclein aggregation in neuroglioma cells. ACS Chem Biol. 2013 Jul 19;8(7):1460-8. doi: 10.1021/cb400017h. Epub 2013 May 1. PubMed PMID: 23594135; PubMed Central PMCID: PMC4532326. 4: Fang S, Crews AL, Chen W, Park J, Yin Q, Ren XR, Adler KB. MARCKS and HSP70 interactions regulate mucin secretion by human airway epithelial cells in vitro. Am J Physiol Lung Cell Mol Physiol. 2013 Apr 15;304(8):L511-8. doi: 10.1152/ajplung.00337.2012. Epub 2013 Feb 1. PubMed PMID: 23377348; PubMed Central PMCID: PMC3625989. 5: Braunstein MJ, Scott SS, Scott CM, Behrman S, Walter P, Wipf P, Coplan JD, Chrico W, Joseph D, Brodsky JL, Batuman O. Antimyeloma Effects of the Heat Shock Protein 70 Molecular Chaperone Inhibitor MAL3-101. J Oncol. 2011;2011:232037. doi: 10.1155/2011/232037. Epub 2011 Sep 29. PubMed PMID: 21977030; PubMed Central PMCID: PMC3184436. 6: Huryn DM, Brodsky JL, Brummond KM, Chambers PG, Eyer B, Ireland AW, Kawasumi M, Laporte MG, Lloyd K, Manteau B, Nghiem P, Quade B, Seguin SP, Wipf P. Chemical methodology as a source of small-molecule checkpoint inhibitors and heat shock protein 70 (Hsp70) modulators. Proc Natl Acad Sci U S A. 2011 Apr 26;108(17):6757-62. doi: 10.1073/pnas.1015251108. Epub 2011 Apr 18. PubMed PMID: 21502524; PubMed Central PMCID: PMC3084104. 7: Patham B, Duffy J, Lane A, Davis RC, Wipf P, Fewell SW, Brodsky JL, Mensa-Wilmot K. Post-translational import of protein into the endoplasmic reticulum of a trypanosome: an in vitro system for discovery of anti-trypanosomal chemical entities. Biochem J. 2009 Apr 15;419(2):507-17. doi: 10.1042/BJ20081787. PubMed PMID: 19196237; PubMed Central PMCID: PMC2769561.