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Ac-DEVD-CHO,N-Acetyl-Asp-Glu-Val-Asp-al - 10mM in Water, high purity , CAS No.169332-60-9, Inhibitor of Caspase 3
Basic Description
Synonyms
C20H30N4O11 | acetyl-Asp-Glu-Val-Asp aldehyde | N-acetyl-asp-glu-val-asp-al | s7901 | L-valinamide, N-acetyl-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-2-carboxy-1-formylethyl]- | DTXSID40937624 | acetyl-Asp-Glu-Val-Asp-aldehyde | HY-P1001 | L-Valinamide,
Specifications & Purity
Moligand™, 10mM in Water
Biochemical and Physiological Mechanisms
N-ACETYL-ASP-GLU-VAL-ASP-AL (Ac-DEVD-CHO) may contribute to the recovery of stunned myocardium through its Cystatin function. Reversible inhibitor of IL-1 β; Invertase (Ice) ; inhibition of Poly (ADP-ribose) polymerase cleavage by CASPASE 3.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of Caspase 3
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Hybrid peptides
Intermediate Tree Nodes
Not available
Direct Parent
Hybrid peptides
Alternative Parents
Glutamic acid and derivatives Aspartic acid and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Beta amino acids and derivatives Tricarboxylic acids and derivatives N-acyl amines Acetamides Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Hybrid peptide - Glutamic acid or derivatives - Aspartic acid or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Aldehyde - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
External Descriptors
tetrapeptide
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
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
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
Smiles
CC(C)C(C(=O)NC(CC(=O)O)C=O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
Isomeric 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
Molecular Weight
502.47
Reaxy-Rn
24709781
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24709781&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Molecular Weight
502.500 g/mol
XLogP3
-2.600
Hydrogen Bond Donor Count
7
Hydrogen Bond Acceptor Count
11
Rotatable Bond Count
16
Exact Mass
502.191 Da
Monoisotopic Mass
502.191 Da
Topological Polar Surface Area
245.000 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
843.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Mingbo Wu, Wenwu Ling, Jiaojun Wei, Ran Liao, Haiyue Sun, Dongqiu Li, Ye Zhao, Long Zhao.
(2022)
Biomimetic photosensitizer nanocrystals trigger enhanced ferroptosis for improving cancer treatment. JOURNAL OF CONTROLLED RELEASE,
352
(1116).
2.
Kuo Yong, Sidra Kaleem, Mingzhu Ma, Xiaoyuan Lian, Zhizhen Zhang.
(2022)
Antiglioma Natural Products from the Marine-Associated Fungus Penicillium sp. ZZ1750. MOLECULES,
27
(20):
(7099).
3.
Qing-Nan Li, Yun-Xi Cui, Zhi-Qi Dai, Zhi-Li Yao, Man-Ying Li, Qi-Liang Cai, De-Ming Kong.
(2025)
Activator Strand Modifications in CRISPR/Cas12a: Unlocking the Potential for Casp-3-Targeted Biosensing and Imaging Analysis of Apoptosis. ANALYTICAL CHEMISTRY,
4.
Jie Zhou, Xin Zheng, Chen Xi, Xinyi Tang, Yinjie Jiang, Minjuan Xie, Xiaoyi Fu.
(2024)
Cr(VI) induced hepatocyte apoptosis through the CTH/H2S/Drp1 signaling pathway. SCIENCE OF THE TOTAL ENVIRONMENT,
950
(175332).
5.
Jun Yan, Yunfei Zhou, Jianwen Xu, Yihong Dong, Xun Yang, Xinxin Yang, Aodi Wu, Shuyuan Chang, Yumeng Wang, Qingxin Zhang, Tomii Ayaka, Lei Yu, Liuyang Zhao, Hongxue Meng, Dabin Liu.
(2025)
Delactylation diminished the growth inhibitory role of CA3 by restoring DUOX2 expression in hepatocellular carcinoma. EXPERIMENTAL CELL RESEARCH,
444
(114392).
6.
Xin Zheng, Xinyi Tang, Yinan Xu, Haiyan Zhu, Lianwei Zhong, Chen Chen, Jiajun Cui, Jie Zhou.
(2025)
Sodium aescinate induces hepatotoxicity through apoptosis and ferroptosis by inhibiting the Nrf2/CTH pathway. JOURNAL OF ETHNOPHARMACOLOGY,
345
(119608).
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6 Citations