Z-Asp-CH2-DCB - ≥98% , CAS No.153088-73-4

CAS: 153088-73-4 Cat. No.: A275423 分子式: C₂₀H₁₇Cl₂NO₇ 分子量: 454.26 PubChem CID: 9911778

GRADE & PURITY ≥98%

Synonyms

(3S)-5-(2,6-ジクロロベンゾイル)オキシ-4-オキソ-3-(フェニルメトキシカルボニルアミノ)ペンタノイックアシッド

Storage

20℃で保存する。

Shipped In

アイスチェスト＋アイスパッド

概要

20℃で保存する。乾燥条件下で保存する。製品は12ヶ月間保存可能。

Specifications

同義語

(3S)-5-(2,6-ジクロロベンゾイル)オキシ-4-オキソ-3-(フェニルメトキシカルボニルアミノ)ペンタノイックアシッド

仕様と純度

≥98%

生化学的・生理学的メカニズム

非可逆的で細胞透過性の広域カスパーゼ阻害剤（IC50値はカスパーゼ-3とカスパーゼ-6に対してそれぞれ1.1μMと4.1μM）。低酸素誘導アポトーシスを阻害する。生体内で抗虚血作用を示す。

保管条件

20℃で保存する。

入荷

アイスチェスト＋アイスパッド

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ヶ月間使用可能です。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

カノニカル・スマイル

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl

IUPAC Name

(3S)-5-(2,6-dichlorobenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid

InChIKey

FKJMFCOMZYPWCO-HNNXBMFYSA-N

INCHI

1S/C20H17Cl2NO7/c21-13-7-4-8-14(22)18(13)19(27)29-11-16(24)15(9-17(25)26)23-20(28)30-10-12-5-2-1-3-6-12/h1-8,15H,9-11H2,(H,23,28)(H,25,26)/t15-/m0/s1

異性体SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl

PubChem CID

9911778

分子量

454.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 2-halobenzoic acids and derivatives Benzyloxycarbonyls Benzoyl derivatives Dichlorobenzenes Gamma-keto acids and derivatives Aryl chlorides Monosaccharides Vinylogous halides Carbamate esters Carboxylic acid esters Ketones Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzoyl - 1,3-dichlorobenzene - Gamma-keto acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monosaccharide - Keto acid - Vinylogous halide - Carbamic acid ester - Carboxylic acid ester - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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）

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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

CASP1 Tchem Caspase-1 (6235 Activities)

Discover Target: CASP1

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: Soluble in DMSO to 10 mM
• 分子量: 454.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 453.038 Da
• Monoisotopic Mass: 453.038 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 614.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 153088-73-4, the molecular formula is C20H17Cl2NO7, and the molecular weight is 454.26 g/mol. InChIKey FKJMFCOMZYPWCO-HNNXBMFYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.