Lu AF21934 - ≥98% , CAS No.1445605-23-1

CAS: 1445605-23-1 Cat. No.: L412256 Formule: C₁₄H₁₆Cl₂N₂O₂ Poids moléculaire: 315.20

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Lu AF21934 is a selective, brain-penetrant and positive allosteric modulator of mGlu4 receptor with IC50 of 500 nM for human mGlu4.

Specifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Lu AF21934 is a selective, brain-penetrant and positive allosteric modulator of mGlu4 receptor with IC50 of 500 nM for human mGlu4.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528765400
• Sourires canoniques: C1CCC(C(C1)C(=O)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl
• IUPAC Name: (1R,2S)-2-N-(3,4-dichlorophenyl)cyclohexane-1,2-dicarboxamide
• InChIKey: AVKZWCJNDWOBAM-ZJUUUORDSA-N
• INCHI: 1S/C14H16Cl2N2O2/c15-11-6-5-8(7-12(11)16)18-14(20)10-4-2-1-3-9(10)13(17)19/h5-7,9-10H,1-4H2,(H2,17,19)(H,18,20)/t9-,10+/m1/s1
• Isomères SMILES: C1CC[C@@H]([C@@H](C1)C(=O)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl
• Poids moléculaire: 315.20
• Reaxy-Rn: 59145844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59145844&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Primary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid derivative - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 315.200 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.059 Da
• Monoisotopic Mass: 314.059 Da
• Topological Polar Surface Area: 72.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 378.000
• 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