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Ac-DEVD-CHO

CAT: 0804-HY-P1001-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1001-02Size:5 mg
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Description
Ac-DEVD-CHO is a Caspase-3 inhibitor with a Ki value of 230 pM.
CAS Number
169332-60-9
UNSPSC
12352209
Hazard Statement
H302, H312, H332
Target
Caspase
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Ac-DEVD-CHO.html
Purity
99.76
Solubility
10 mM in DMSO|H2O : ≥ 50 mg/mL
Smiles
O=C(N[C@@H](C(C)C)C(N[C@H](C=O)CC(O)=O)=O)[C@H](CCC(O)=O)NC([C@@H](NC(C)=O)CC(O)=O)=O
Molecular Formula
C20H30N4O11
Molecular Weight
502.47
Precautions
H302, H312, H332
References & Citations
[1]Garcia-Calvo M, et al.nhibition of human caspases by peptide-based and macromolecular inhibitors. J Biol Chem. 1998 Dec 4;273 (49) :32608-13.|[2]Jinglin Wang, et al. A polysaccharide from Lentinus edodes inhibits human colon cancer cell proliferation and suppresses tumor growth in athymic nude mice. Oncotarget. 2017 Jan 3; 8 (1) : 610-623.|[3]Junping Zhang, et al. Hypericin-mediated photodynamic therapy induces apoptosis of myoloma SP2/0 cells depended on caspase activity in vitro. Cancer Cell Int. 2015; 15: 58|[4]Long-gang He, et al. Sinomenine induces apoptosis in RAW 264.7 cell-derived osteoclasts in vitro via caspase-3 activation. Acta Pharmacol Sin. 2014 Feb; 35 (2) : 203-210.|[5]Liu LX, et al. The effect of caspase-3 inhibitor on the concentrations of serum inflammatory cytokines in sepsis related acute kidney injury induced by peritoneal cavity infection in mice. Zhongguo Wei Zhong Bing Ji Jiu Yi Xue. 2010 Dec;22 (12) :736-9.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Caspase 1; Caspase 10; Caspase 2; Caspase 3; Caspase 4; Caspase 5; Caspase 6; Caspase 7; Caspase 8; Caspase 9

Chemical Information

Ac-DEVD-CHO

Ac-Asp-Glu-Val-Asp-H is a tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7. It has a role as a protease inhibitor.

CAS Number169332-60-9
PubChem CID644345
IUPAC Name(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC20H30N4O11
Molecular Weight502.5
XLogP-2.6
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count35
Formal Charge0
Complexity843
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C
InChI
InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1
InChIKey
UMBVAPCONCILTL-MRHIQRDNSA-N
Chemical Structure
2D Structure
2D structure of Ac-DEVD-CHO
CAS: 169332-60-9
CID: 644345
Formula: C20H30N4O11
MW: 502.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.5
XLogP3-2.6
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass502.19110779
Monoisotopic Mass502.19110779
Topological Polar Surface Area245 Ų
Heavy Atom Count35
Formal Charge0
Complexity843
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

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