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Ac-DEVD-CMK

CAT: 0804-HY-P0034-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0034-02Size:5 mg
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Description
Ac-DEVD-CMK (Caspase-3 Inhibitor III) is a selective and irreversible caspase-3 inhibitor. Ac-DEVD-CMK significantly inhibits apoptosis induced by high levels of glucose or Ingenol 3,20-dibenzoate?. Ac-DEVD-CMK can be used in a variety of experimental approaches to inhibit apoptosis[1][2][3].
CAS Number
285570-60-7
Product Name Alternative
Caspase-3 Inhibitor III
UNSPSC
12352209
Target
Apoptosis; Caspase
Type
Peptides
Related Pathways
Apoptosis
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ac-devd-cmk.html
Purity
98.60
Solubility
10 mM in DMSO
Smiles
ClCC([C@H](CC(O)=O)NC([C@H](C(C)C)NC([C@H](CCC(O)=O)NC([C@@H](NC(C)=O)CC(O)=O)=O)=O)=O)=O
Molecular Formula
C21H31ClN4O11
Molecular Weight
550.94
References & Citations
[1]Lu Cai, et al. Hyperglycemia-induced apoptosis in mouse myocardium: mitochondrial cytochrome C-mediated caspase-3 activation pathway. Diabetes. 2002 Jun;51 (6) :1938-48.|[2]M M Mocanu, et al. Caspase inhibition and limitation of myocardial infarct size: protection against lethal reperfusion injury. Br J Pharmacol. 2000 May;130 (2) :197-200.|[3]M Blanco-Molina, et al. Ingenol esters induce apoptosis in Jurkat cells through an AP-1 and NF-kappaB independent pathway. Chem Biol. 2001 Aug;8 (8) :767-78.|[4]Eon Jeong Nam, et al. Syndecan-1 limits the progression of liver injury and promotes liver repair in acetaminophen-induced liver injury in mice. Hepatology. 2017 Nov;66 (5) :1601-1615.|[5]Hung KC, et al. Citrate-Induced p85α⁻PTEN Complex Formation Causes G2/M Phase Arrest in Human Pharyngeal Squamous Carcinoma Cell Lines. Int J Mol Sci. 2019 Apr 29;20 (9) :2105.|[6]Nam EJ, et al. Syndecan-1 limits the progression of liver injury and promotes liver repair in acetaminophen-induced liver injury in mice. Hepatology. 2017 Nov;66 (5) :1601-1615.|[7]Eon Jeong Nam, et al. Syndecan-1 limits the progression of liver injury and promotes liver repair in acetaminophen-induced liver injury in mice. Hepatology. 2017 Nov;66 (5) :1601-1615.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture)
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
Caspase 3
Citation 01
Exp Neurol. 2024 Mar:373:114678.|J Agric Food Chem. 2025 Aug 27;73 (34) :21296-21308.|PLoS Pathog. 2024 Jul 22;20 (7) :e1012408.

Chemical Information

Caspase-3 Inhibitor III
CAS Number285570-60-7
PubChem CID9959259
IUPAC Name(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-4-chloro-3-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC21H31ClN4O11
Molecular Weight550.9
XLogP-1.7
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Heavy Atom Count37
Formal Charge0
Complexity909
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CCl)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChI
InChI=1S/C21H31ClN4O11/c1-9(2)18(21(37)25-12(6-16(31)32)14(28)8-22)26-19(35)11(4-5-15(29)30)24-20(36)13(7-17(33)34)23-10(3)27/h9,11-13,18H,4-8H2,1-3H3,(H,23,27)(H,24,36)(H,25,37)(H,26,35)(H,29,30)(H,31,32)(H,33,34)/t11-,12-,13-,18-/m0/s1
InChIKey
ATNOUPFYBMVFLD-RSLFNQERSA-N
Chemical Structure
2D Structure
2D structure of Caspase-3 Inhibitor III
CAS: 285570-60-7
CID: 9959259
Formula: C21H31ClN4O11
MW: 550.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight550.9
XLogP3-1.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count17
Exact Mass550.1677855
Monoisotopic Mass550.1677855
Topological Polar Surface Area245 Ų
Heavy Atom Count37
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes