Z-DEVD-FMK - Moligand™, ≥98% , CAS No.210344-95-9

CAS: 210344-95-9 Cat. No.: Z302772 分子式: C₃₀H₄₁FN₄O₁₂ 分子量: 668.66 PubChem CID: 16760394

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethyl-ketone | SCHEMBL18328791 | L-Valinamide, N-[(phenylmethoxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, 1,2-dimethyl ester | Z-Asp(O-Me

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

概要

製品紹介

Z-DEVD-FMKは、選択的で不可逆的なカスパーゼ-3阻害剤であり、カスパーゼ-6、カスパーゼ-7、カスパーゼ-8、カスパーゼ-10に対しても有効な阻害活性を示す。

Specifications

同義語

N-benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethyl-ketone | SCHEMBL18328791 | L-Valinamide, N-[(phenylmethoxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-, 1,2-dimethyl ester | Z-Asp(O-Me

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

強力で細胞透過性の不可逆的なカスパーゼ-3阻害剤。カスパーゼ-6、カスパーゼ-7、カスパーゼ-8、カスパーゼ-10も阻害する。細胞内に入ると、内因性のエステラーゼ活性によってメチル基が加水分解され、生物学的に活性な形になる。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

等級

Moligand™

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1週間まで使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥98%

名前と識別子

• パブケム・シド: 504768530
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504768530
• カノニカル・スマイル: CC(C)C(C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)C(CCC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1
• IUPAC Name: methyl (4S)-5-[[(2S)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoate
• InChIKey: GBJVAVGBSGRRKN-JYEBCORGSA-N
• INCHI: 1S/C30H41FN4O12/c1-17(2)26(29(42)33-20(22(36)15-31)13-24(38)45-4)35-27(40)19(11-12-23(37)44-3)32-28(41)21(14-25(39)46-5)34-30(43)47-16-18-9-7-6-8-10-18/h6-10,17,19-21,26H,11-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,43)(H,35,40)/t19-,20-,21-,26-/m0/s1
• 異性体SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@H](CC(=O)OC)NC(=O)OCC1=CC=CC=C1
• PubChem CID: 16760394
• 分子量: 668.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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 Benzyloxycarbonyls Tricarboxylic acids and derivatives Gamma-keto acids and derivatives Fatty acid methyl esters N-acyl amines Methyl esters Carbamate esters Alpha-haloketones Secondary carboxylic acid amides Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic 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 - Benzyloxycarbonyl - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Tricarboxylic acid or derivatives - Gamma-keto acid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Benzenoid - N-acyl-amine - Keto acid - Fatty amide - Monocyclic benzene moiety - Alpha-haloketone - Methyl ester - Carbamic acid ester - Secondary carboxylic acid amide - Carbonic acid derivative - Ketone - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• 説明: 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: Not available

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.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

CASP3 Tchem Caspase-3 (1 Activities)

Discover Target: CASP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SARS-CoV-2 (38078 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: insoluble in H2O; insoluble in EtOH; ≥60 mg/mL in DMSO
• 分子量: 668.700 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 23
• Exact Mass: 668.271 Da
• Monoisotopic Mass: 668.271 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1110.000
• 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

参考文献

1. Fan Zhang, Changqing Mao, Siyu Cao, Runchi Zhang, Yi Guo, Guifang Chen, Chang Feng.  (2022)  A peptide-DNA hybrid bio-nanomicelle and its application for detection of caspase-3 activity.  Frontiers in Chemistry,      [PMID:36147255] [10.3389/fchem.2022.1005315]

2. 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.  (2024)  Delactylation diminished the growth inhibitory role of CA3 by restoring DUOX2 expression in hepatocellular carcinoma.  EXPERIMENTAL CELL RESEARCH,      [PMID:39710294] [10.1016/j.yexcr.2024.114392]

3. Guangyuan Li, Mingyu Peng, Mengxue Li, Ruoyu Hu, Chunxiao Gao, Yamin Xing, Ting Zhang, Jixuan Xu, Miaoran Fu, Wulong Liang, Pengya Feng, Hongqiao Zhang, Zisen Zhang, Pengyuan Zheng, Xiufeng Chu.  (2026)  Caspase-3 activation is a brake in GSDMD-mediated pyroptosis.  CELLULAR SIGNALLING,      [PMID:42392288] [10.1016/j.cellsig.2026.112661]

4. Chen Chen, Qin Yu, Chen Xi, Minjuan Xie, Yinjie Jiang, Jie Zhou.  (2026)  Norcantharidin induces nephrotoxicity by disrupting the ATF4/CTH/H2S pathway and promoting apoptosis.  TISSUE & CELL,      [PMID:42456381] [10.1016/j.tice.2026.103749]