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

CAS: 65002-17-7 Cat. No.: B337598 Fórmula: C₇H₁₃NO₃S₂ Peso molecular: 223.31

CALIDAD & PUREZA ≥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

Descripción general

Bucillamine is an antirheumatic agent.

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Antioxidant

Pureza

≥96%

Propiedades del producto

pKa

pKa: 3.01 (Predicted)

ALogP

0.4

Nombres e identificadores

Pubchem Sid

504759779

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

RTECS

HA2420000

Peso molecular

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
    • Clase 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
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, and methanol.
• Índice de refracción: n20D1.55 (Predicted)
• Punto de ebullición (°C): 438° C (Predicted)
• Punto de fusión (°C): 119-123° C
• Peso molecular: 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