Bucillamine - ≥96% , Antioxidant, CAS No.65002-17-7, Antioxidant

CAS: 65002-17-7 Cat. No.: B337598 分子式: C₇H₁₃NO₃S₂ 分子量: 223.31

グレード＆純度 ≥96%

Synonyms

Bucilant | bucillamine | N-(2-Mercaptoisobutyryl)-L-cysteine | Thiobutarit | BDBM50406934 | CHEBI:31312 | Q-101254 | Bucilant (TN) | (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid | NCGC00182062-02 | AKOS015895462 | DE019; SA96;T

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Bucillamine is an antirheumatic agent.

仕様

同義語

Bucilant | bucillamine | N-(2-Mercaptoisobutyryl)-L-cysteine | Thiobutarit | BDBM50406934 | CHEBI:31312 | Q-101254 | Bucilant (TN) | (2R)-3-mercapto-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid | NCGC00182062-02 | AKOS015895462 | DE019; SA96;T

仕様と純度

≥96%

保管条件

Store at -20°C

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。

アクションタイプ

INHIBITOR

作用メカニズム

Antioxidant

純度

≥96%

製品の性質

pKa

pKa: 3.01 (Predicted)

ALogP

0.4

名前と識別子

パブケム・シド

504759779

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504759779

カノニカル・スマイル

CC(C)(C(=O)NC(CS)C(=O)O)S

IUPAC Name

(2R)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid

InChIKey

VUAFHZCUKUDDBC-BYPYZUCNSA-N

INCHI

1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1

異性体SMILES

CC(C)(C(=O)N[C@@H](CS)C(=O)O)S

RTECS

HA2420000

分子量

223.31

Reaxy-Rn

2643663

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2643663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids
                • Level9 N-acyl-L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
• Direct Parent: N-acyl-L-alpha-amino acids
• Alternative Parents: Cysteine and derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-l-alpha-amino acid - Cysteine or derivatives - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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）

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, and methanol.
• 屈折率: n20D1.55 (Predicted)
• 沸点（°C）: 438° C (Predicted)
• 融点（°C）: 119-123° C
• 分子量: 223.300 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 223.034 Da
• Monoisotopic Mass: 223.034 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 218.000
• 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