Ocaperidone - Moligand™, ≥98% , Agonist of 5-HT 1A receptor;Antagonist of 5-HT 1B receptor;Antagonist of 5-HT 1D receptor, CAS No.129029-23-8, Agonist of 5-HT 1A receptor;Antagonist of 5-HT 1B receptor;Antagonist of 5-HT 1D receptor

CAS: 129029-23-8 Cat. No.: O404824 Formule: C₂₄H₂₅FN₄O₂ Poids moléculaire: 420.49

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sulfadimethylpyrimidine | Raziosulfa | 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one | UNII-26HUS7139V | DB06229 | Ocaperidone (USAN) | AKOS030530792 | NSC 77120 | Ocaperidona [INN-Spanish] | OCAP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product description：

Ocaperidone is an effective antipsychotic agent, acting as a potent 5-HT2 and dopamine D2 antagonist, and a 5-HT1A agonist, with Kis of 0.14 nM, 0.46 nM, 0.75 nM, 1.6 nM and 5.4 nM for 5-HT2, a1-adrenergic receptor, dopamine D2, histamine H1 and a2-adrenergic receptor, respectively, and a pEC50 and pKi of 7.60 and 8.08 for h5-HT1A.

Specifications

Synonymes

Sulfadimethylpyrimidine | Raziosulfa | 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one | UNII-26HUS7139V | DB06229 | Ocaperidone (USAN) | AKOS030530792 | NSC 77120 | Ocaperidona [INN-Spanish] | OCAP

Spécifications et pureté

Moligand™, ≥98%

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.

Grade

Moligand™

Type d'action

AGONIST, ANTAGONIST

Mécanisme d'action

Agonist of 5-HT 1A receptor;Antagonist of 5-HT 1B receptor;Antagonist of 5-HT 1D receptor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488184648
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184648
• Sourires canoniques: CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
• IUPAC Name: 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
• InChIKey: ZZQNEJILGNNOEP-UHFFFAOYSA-N
• INCHI: 1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
• Isomères SMILES: CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
• Poids moléculaire: 420.49
• Reaxy-Rn: 8654561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8654561&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridopyrimidines
• Alternative Parents: Benzisoxazoles Aralkylamines Methylpyridines Pyrimidones Aryl fluorides Benzenoids Piperidines Isoxazoles Heteroaromatic compounds Lactams Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridopyrimidine - Benzisoxazole - Methylpyridine - Aralkylamine - Pyrimidone - Aryl fluoride - Aryl halide - Piperidine - Pyridine - Benzenoid - Pyrimidine - Azole - Isoxazole - Heteroaromatic compound - Lactam - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 182 °C
• Poids moléculaire: 420.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 420.196 Da
• Monoisotopic Mass: 420.196 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 856.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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