SG-005 - Moligand™ , Inhibitor of TPC2, CAS No.S613560, Inhibitor of TPC2

CAS: S613560 Cat. No.: S613560 PubChem CID: 13892139

GRADE & PURITY Moligand™

Synonyms

7,12-O,O'dibenzyl-N-methylcoclaurine

Storage

Room temperature

Specifications

同義語

7,12-O,O'dibenzyl-N-methylcoclaurine

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of TPC2

名前と識別子

• カノニカル・スマイル: COc1cc2c(cc1OCc1ccccc1)C(Cc1ccc(OCc3ccccc3)cc1)N(C)CC2
• IUPAC Name: 7-(benzyloxy)-1-{[4-(benzyloxy)phenyl]methyl}-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
• InChIKey: HZBGXMAYXSMTBE-UHFFFAOYSA-N
• INCHI: 1S/C32H33NO3/c1-33-18-17-27-20-31(34-2)32(36-23-26-11-7-4-8-12-26)21-29(27)30(33)19-24-13-15-28(16-14-24)35-22-25-9-5-3-6-10-25/h3-16,20-21,30H,17-19,22-23H2,1-2H3
• 異性体SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC
• PubChem CID: 13892139

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Isoquinolines and derivatives
      • Subclass Benzylisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoquinolines and derivatives
• Subclass: Benzylisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylisoquinolines
• Alternative Parents: Tetrahydroisoquinolines Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzylisoquinoline - Tetrahydroisoquinoline - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
• 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）

TPCN2 Tchem Two pore calcium channel protein 2 (0 Activities)

Discover Target: TPCN2

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

関連ターゲット（非人間）

Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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

作用メカニズム