Cariprazine - Moligand™, ≥98% , Agonist of D 2 receptor;Agonist of D 3 receptor, CAS No.839712-12-8, Agonist of D 2 receptor;Agonist of D 3 receptor

CAS: 839712-12-8 Cat. No.: C126186 Formule: C₂₁H₃₂Cl₂N₄O Poids moléculaire: 427.41 Numéro CE: 111-198-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

AS-74411 | AKOS027250814 | 5-chloro-2-mercapto-benzoxazol | DB06016 | FT-0605496 | GLXC-90442 | Q2938837 | BDBM50443094 | DTXSID60220767 | AC-35342 | RGH-188; RGH188; RGH 188; MP-214; MP 214; MP214 | US9550741, RGH-188 | EN300-7406880 | MFCD19443701 | BDB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Cariprazine(RGH188) is a novel antipsychotic drug candidate that exhibits high selectivity and affinity to dopamine D3(Ki=0.09 nM) and D2 (Ki=0.5 nM) receptors and moderate affinity to serotonin 5-HT(1A) receptors.

Specifications

Synonymes

AS-74411 | AKOS027250814 | 5-chloro-2-mercapto-benzoxazol | DB06016 | FT-0605496 | GLXC-90442 | Q2938837 | BDBM50443094 | DTXSID60220767 | AC-35342 | RGH-188; RGH188; RGH 188; MP-214; MP 214; MP214 | US9550741, RGH-188 | EN300-7406880 | MFCD19443701 | BDB

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Description:
IC50 Value: 0.5 and 0.09 nM (Ki for D2 and D3 receptor respectively); 2.6 and 180 nM(Ki for 5-HT1A and 5-HT2A receptor respectively) [1]
Cariprazine is a novel antipsychotic drug candidate that exhibits high selecti

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

Mécanisme d'action

Agonist of D 2 receptor;Agonist of D 3 receptor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528770327
• Sourires canoniques: CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl
• IUPAC Name: 3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
• InChIKey: KPWSJANDNDDRMB-UHFFFAOYSA-N
• INCHI: 1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)
• Isomères SMILES: CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl
• Poids moléculaire: 427.41
• Reaxy-Rn: 18765165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18765165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dichlorobenzenes Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Aryl chlorides Ureas Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - 1,2-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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

Cibles associées (humaines)

DRD2 Tclin D(2) dopamine receptor (24 Activities)

Discover Target: DRD2

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

DRD3 Tclin D(3) dopamine receptor (10 Activities)

Discover Target: DRD3

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

Propriétés chimiques et physiques

• Solubilité: 25°C: DMSO
• Poids moléculaire: 427.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 426.195 Da
• Monoisotopic Mass: 426.195 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 491.000
• 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

Références

1. Haowei Liu, Qiuming Huang, Yunqi Fan, Bo Li, Xuemei Liu, Changhua Hu.  (2023)  Dissecting the novel abilities of aripiprazole: The generation of anti-colorectal cancer effects by targeting Gαq via HTR2B.  Acta Pharmaceutica Sinica B,      [PMID:37655314] [10.1016/j.apsb.2023.05.015]

2. Fan Wang, Chao-bao Liu, Yi Wang, Xi-xi Wang, Yuan-yao Yang, Chang-you Jiang, Qiu-min Le, Xing Liu, Lan Ma, Fei-fei Wang.  (2024)  Morphine- and foot shock-responsive neuronal ensembles in the VTA possess different connectivity and biased GPCR signaling pathway.  Theranostics,      [PMID:38250036] [10.7150/thno.90792]

3. Li Hai-bo, Liu Yong-hui, Liu Hai, Li Yuan, Le Qiu-min, Wang Fei-fei, Ma Lan, Liu Xing.  (2026)  G protein-dependent dopamine D2 receptor signaling mediates cocaine-primed reinstatement.  ACTA PHARMACOLOGICA SINICA,      [PMID:41535707] [10.1038/s41401-025-01700-w]