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 分子式: C₂₁H₃₂Cl₂N₄O 分子量: 427.41 EC番号: 111-198-4

グレード＆純度 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

概要

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.

仕様

同義語

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

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。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of D 2 receptor;Agonist of D 3 receptor

純度

≥98%

名前と識別子

パブケム・シド

528770327

カノニカル・スマイル

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)

異性体SMILES

CN(C)C(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl

分子量

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
    • 分類 Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 溶解度: 25°C: DMSO
• 分子量: 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