MX1013
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MedKoo CAT#: 471029

CAS#: 582316-00-5

Description: MX1013 is a dipeptide pan-caspase inhibitor that inhibits caspase-1, caspase-3, and caspase-6, -7, -8, and -9.

Chemical Structure

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MX1013
CAS# 582316-00-5
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 471029
Name: MX1013
CAS#: 582316-00-5
Chemical Formula: C18H23FN2O6
Exact Mass: 382.15
Molecular Weight: 382.388
Elemental Analysis: C, 56.54; H, 6.06; F, 4.97; N, 7.33; O, 25.10

Price and Availability

Size Price Availability Quantity
100mg USD 550
250mg USD 1050
1g USD 2250
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Synonym: MX1013, MX 1013, MX-1013, Z-VD-FMK, Z-Val-Asp-Fluoromethyl Ketone

IUPAC/Chemical Name: 3-((S)-2-(((benzyloxy)carbonyl)amino)-3-methylbutanamido)-5-fluoro-4-oxopentanoic acid

InChi Key: LYBWGROBJJXCJJ-VYIIXAMBSA-N

InChi Code: InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13?,16-/m0/s1

SMILES Code: O=C(CC(C(CF)=O)NC([C@H](C(C)C)NC(OCC1=CC=CC=C1)=O)=O)O

Appearance: Solid powder

Purity: >96% (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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: MX1013 is a potent, irreversible dipeptide caspase inhibitor vith antiapoptotic activity. MX1013 inhibits recombinant human caspase 3 with an IC50 of 30 nM.
In vitro activity: MX1013 inhibits caspases 1, 3, 6, 7, 8, and 9, with IC50 values ranging from 5 to 20 nm. MX1013 is selective for caspases, and is a poor inhibitor of noncaspase proteases, such as cathepsin B, calpain I, or Factor Xa (IC50 values >10 microm). In several cell culture models of apoptosis, including caspase 3 processing, PARP cleavage, and DNA fragmentation, MX1013 is more active than tetrapeptide- and tripeptide-based caspase inhibitors, and blocked apoptosis at concentrations as low as 0.5 microm. MX1013 is more aqueous soluble than tripeptide-based caspase inhibitors such as Z-VAD-fmk. Reference: Br J Pharmacol. 2003 Sep;140(2):402-12. https://pubmed.ncbi.nlm.nih.gov/12970077/
In vivo activity: At a dose of 1 mg kg-1 i.v., MX1013 prevented liver damage and the lethality caused by Fas death receptor activation in the anti-Fas mouse-liver apoptosis model, a widely used model of liver failure. 6. At a dose of 20 mg kg-1 (i.v. bolus) followed by i.v. infusion for 6 or 12 h, MX1013 reduced cortical damage by approximately 50% in a model of brain ischemia/reperfusion injury. At a dose of 20 mg kg-1 (i.v. bolus) followed by i.v. infusion for 12 h, MX1013 reduced heart damage by approximately 50% in a model of acute myocardial infarction. Reference: Br J Pharmacol. 2003 Sep;140(2):402-12. https://pubmed.ncbi.nlm.nih.gov/12970077/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 30.0 78.45
DMSO 30.0 78.45
DMSO:PBS (pH 7.2) (1:4) 0.2 0.52
Ethanol 10.0 26.15

Preparing Stock Solutions

The following data is based on the product molecular weight 382.39 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: Yang W, Guastella J, Huang JC, Wang Y, Zhang L, Xue D, Tran M, Woodward R, Kasibhatla S, Tseng B, Drewe J, Cai SX. MX1013, a dipeptide caspase inhibitor with potent in vivo antiapoptotic activity. Br J Pharmacol. 2003 Sep;140(2):402-12. doi: 10.1038/sj.bjp.0705450. Epub 2003 Aug 26. PMID: 12970077; PMCID: PMC1574042.
In vitro protocol: Yang W, Guastella J, Huang JC, Wang Y, Zhang L, Xue D, Tran M, Woodward R, Kasibhatla S, Tseng B, Drewe J, Cai SX. MX1013, a dipeptide caspase inhibitor with potent in vivo antiapoptotic activity. Br J Pharmacol. 2003 Sep;140(2):402-12. doi: 10.1038/sj.bjp.0705450. Epub 2003 Aug 26. PMID: 12970077; PMCID: PMC1574042.
In vivo protocol: Yang W, Guastella J, Huang JC, Wang Y, Zhang L, Xue D, Tran M, Woodward R, Kasibhatla S, Tseng B, Drewe J, Cai SX. MX1013, a dipeptide caspase inhibitor with potent in vivo antiapoptotic activity. Br J Pharmacol. 2003 Sep;140(2):402-12. doi: 10.1038/sj.bjp.0705450. Epub 2003 Aug 26. PMID: 12970077; PMCID: PMC1574042.

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1. Yang, W., Guastella, J., Huang, J.-C., et al. MX1013, a dipeptide caspase inhibitor with potent in vivo antiapoptotic activity. Br. J. Pharmacol. 140(2), 402-412 (2003).