MX1013 | CAS# 582316-00-5 | pan-caspase inhibitor

MedKoo Cat#: 471029 | Name: MX1013

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Description:

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

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

Chemical Structure

MX1013

CAS#582316-00-5

Theoretical Analysis

MedKoo Cat#: 471029

Name: MX1013

CAS#: 582316-00-5

Chemical Formula: C18H23FN2O6

Exact Mass: 382.1540

Molecular Weight: 382.39

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 550.00
250mg	USD 1,050.00
1g	USD 2,250.00

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Related CAS #

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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/

	Solvent	mg/mL	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

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

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.

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:

In vivo protocol:

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).