(S)-chlorosuccinic acid - Moligand™ , Agonist of succinate receptor, CAS No.4198-33-8, Agonist of succinate receptor

CAS: 4198-33-8 Cat. No.: S613498 PubChem CID: 9793861

GRADE & PURITY Moligand™

Synonyms

Butanedioic acid, chloro-, (S)- | (S)-Chlorosuccinic acid | (2S)-2-chlorobutanedioic acid | (S)-2-chlorosuccinic acid | Succinic acid, chloro-, (S)- | BUTANEDIOIC ACID, CHLORO-, (2S)- | Chlorosuccinic acid, (S)- | BUTANEDIOIC ACID, 2-CHLORO-, (2S)- | GTPL

Storage

Room temperature

Specifications

Sinónimos

Butanedioic acid, chloro-, (S)- | (S)-Chlorosuccinic acid | (2S)-2-chlorobutanedioic acid | (S)-2-chlorosuccinic acid | Succinic acid, chloro-, (S)- | BUTANEDIOIC ACID, CHLORO-, (2S)- | Chlorosuccinic acid, (S)- | BUTANEDIOIC ACID, 2-CHLORO-, (2S)- | GTPL

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of succinate receptor

Nombres e identificadores

• Sonrisas canónicas: OC(=O)C[C@@H](C(=O)O)Cl
• IUPAC Name: (2S)-2-chlorobutanedioic acid
• InChIKey: QEGKXSHUKXMDRW-REOHCLBHSA-N
• INCHI: 1S/C4H5ClO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
• Isómeros SMILES: C([C@@H](C(=O)O)Cl)C(=O)O
• PubChem CID: 9793861

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Alpha-halocarboxylic acids Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Halogenated fatty acid - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl chloride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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)

SUCNR1 Tchem Succinate receptor 1 (1 Activities)

Discover Target: SUCNR1

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

Propiedades químicas y físicas

• Peso molecular: 152.530 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 151.988 Da
• Monoisotopic Mass: 151.988 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• 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