VU 0155041 - ≥99%(HPLC) , CAS No.1093757-42-6

CAS: 1093757-42-6 Cat. No.: V287383 分子式: C₁₄H₁₅Cl₂NO₃ 分子量: 316.18 PubChem CID: 888023

GRADE & PURITY ≥99%(HPLC)

Synonyms

cis-2-[[(3,5-Dichlorophenyl)amino]carbonyl]cyclohexanecarboxylic acid | (1R,2S)-2-((3,5-dichlorophenyl)carbamoyl)cyclohexanecarboxylic acid | UV0155041

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

cis-2-[[(3,5-Dichlorophenyl)amino]carbonyl]cyclohexanecarboxylic acid | (1R,2S)-2-((3,5-dichlorophenyl)carbamoyl)cyclohexanecarboxylic acid | UV0155041

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

Potent, positive allosteric modulator/allosteric agonist at mGlu4receptors (EC50= 798 and 693 nM at human and rat mGlu4receptors respectively). Active inin vivomodels of Parkinson's disease following i.c.v. administration. Also available as sodium salt.

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。

純度

≥99%(HPLC)

名前と識別子

• パブケム・シド: 504760307
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760307
• カノニカル・スマイル: C1CCC(C(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O
• IUPAC Name: (1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
• InChIKey: VSMUYYFJVFSVCA-NWDGAFQWSA-N
• INCHI: 1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1
• 異性体SMILES: C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O
• 代替CAS番号: 1259372-69-4
• PubChem CID: 888023
• 分子量: 316.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Dichlorobenzenes Aryl chlorides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - 1,3-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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）

GRM4 Tchem Metabotropic glutamate receptor 4 (0 Activities)

Discover Target: GRM4

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

GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)

Discover Target: GRM4

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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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:1eq. NaOH, Max Conc. mg/mL: 31.62, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 31.62, Max Conc. mM: 100
• 分子量: 316.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 315.043 Da
• Monoisotopic Mass: 315.043 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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