Sivelestat sodium salt - ≥98%(HPLC) , CAS No.150374-95-1

CAS: 150374-95-1 Cat. No.: S287743 分子式: C₂₀H₂₁N₂NaO₇S 分子量: 456.44 PubChem CID: 23664980

GRADE & PURITY ≥98%(HPLC)

Synonyms

Sivelestat (sodium) | HY-17443A | NCGC00261500-01 | SIVELESTAT SODIUM SALT ANHYDROUS [MI] | sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate | A14073 | Q27236615 | CCG-222119 | J-008691 | Sivelestat sodium anhydrous |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

同義語

Sivelestat (sodium) | HY-17443A | NCGC00261500-01 | SIVELESTAT SODIUM SALT ANHYDROUS [MI] | sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate | A14073 | Q27236615 | CCG-222119 | J-008691 | Sivelestat sodium anhydrous |

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Selective leukocyte elastase inhibitor (IC50= 44 nM) that displays no activity at a range of other proteases. Inhibits NF-κB activation and LTB4-induced neutrophil transmigrationin vitro. Significantly attenuates ischemia-induced spinal cord injury, decre

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504769500
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504769500
• カノニカル・スマイル: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
• InChIKey: ZAIFANJZUGNYCK-UHFFFAOYSA-M
• INCHI: 1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
• 異性体SMILES: CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
• PubChem CID: 23664980
• 分子量: 456.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: N-acyl-alpha amino acids Benzenesulfonamides Sulfanilides Phenol esters Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Carboxylic acid salts Carboxylic acid esters Secondary carboxylic acid amides Carboxylic acids Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Phenol ester - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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）

ELANE Tclin Neutrophil elastase (3 Activities)

Discover Target: ELANE

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

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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: Solvent:DMSO, Max Conc. mg/mL: 22.82, Max Conc. mM: 50
• 分子量: 456.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 456.097 Da
• Monoisotopic Mass: 456.097 Da
• Topological Polar Surface Area: 150.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 738.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

参考文献

1. Hao-Dong Yang, Zhi-Shu Tang, Tao-Tao Xue, Huai-Li Xu, Bao-Long Hou, Ya-Ya Zhu, Zeng-Hu Su, Hong-Bo Xu.  (2023)  Monoterpenoids from the root bark of Acanthopanax gracilistylus and their inhibitory effects on neutrophil elastase, 5-lipoxygenase, andcyclooxygenase-2 in vitro.  PHYTOCHEMISTRY,      [PMID:37683990] [10.1016/j.phytochem.2023.113851]

2. Hao-Dong Yang, Yuan-Gui Yang, Zhi-Shu Tang, Kang Ma, Hong-Bo Xu.  (2024)  Identification of lignans as selective cyclooxygenase-2 inhibitors from the extract of Acanthopanacis cortex.  PHYTOCHEMISTRY,      [PMID:38972441] [10.1016/j.phytochem.2024.114208]