SC-435 - Moligand™ , Inhibitor of Sodium/bile acid and sulphated solute cotransporter 2, CAS No.289037-66-7, Inhibitor of Sodium/bile acid and sulphated solute cotransporter 2

CAS: 289037-66-7 Cat. No.: S613476 PubChem CID: 73755225

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

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 Sodium/bile acid and sulphated solute cotransporter 2

名前と識別子

• カノニカル・スマイル: CCCCC1(CCCC)CS(=O)(=O)c2c([C@H]([C@H]1O)c1ccc(cc1)OCCCC[N+]13CCN(CC1)CC3)cc(c(c2)OC)OC
• IUPAC Name: (4R,5R)-5-[4-[4-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)butoxy]phenyl]-3,3-dibutyl-7,8-dimethoxy-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol
• InChIKey: PHAUFFBQHZENJE-VSJLXWSYSA-N
• INCHI: 1S/C36H55N2O6S/c1-5-7-15-36(16-8-6-2)27-45(40,41)33-26-32(43-4)31(42-3)25-30(33)34(35(36)39)28-11-13-29(14-12-28)44-24-10-9-20-38-21-17-37(18-22-38)19-23-38/h11-14,25-26,34-35,39H,5-10,15-24,27H2,1-4H3/q+1/t34-,35-/m1/s1
• 異性体SMILES: CCCCC1(CS(=O)(=O)C2=CC(=C(C=C2[C@H]([C@H]1O)C3=CC=C(C=C3)OCCCC[N+]45CCN(CC4)CC5)OC)OC)CCCC
• PubChem CID: 73755225

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzothiepins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzothiepins
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiepins
• Alternative Parents: Phenoxy compounds Anisoles N-alkylpiperazines Alkyl aryl ethers Tetraalkylammonium salts Sulfones Trialkylamines Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiepin - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tetraalkylammonium salt - Quaternary ammonium salt - Sulfone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
• 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）

SLC10A2 Tclin Ileal sodium/bile acid cotransporter (1 Activities)

Discover Target: SLC10A2

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

よくある質問

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 289037-66-7. InChIKey PHAUFFBQHZENJE-VSJLXWSYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.