example 31 (24) [WO2012005227] - Moligand™ , Inhibitor of autotaxin, CAS No.E610247, Inhibitor of autotaxin

CAS: E610247 Cat. No.: E610247

GRADE & PURITY Moligand™

Synonyms

Ex_31

Storage

Room temperature

Specifications

同義語

Ex_31

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 autotaxin

名前と識別子

• カノニカル・スマイル: OC(=O)[C@@H]1CC[C@H](CC1)CC(=O)N1CCc2c(C1)n(Cc1ccc(cc1F)Cl)c1c2cccn1
• InChIKey: RKUKGCKNRLOSDX-QAQDUYKDSA-N
• INCHI: 1S/C26H27ClFN3O3/c27-19-8-7-18(22(28)13-19)14-31-23-15-30(11-9-20(23)21-2-1-10-29-25(21)31)24(32)12-16-3-5-17(6-4-16)26(33)34/h1-2,7-8,10,13,16-17H,3-6,9,11-12,14-15H2,(H,33,34)/t16-,17-
• 異性体SMILES: C1CC(CCC1CC(=O)N2CCC3=C(C2)N(C4=C3C=CC=N4)CC5=C(C=C(C=C5)Cl)F)C(=O)O
• Reaxy-Rn: 47571390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47571390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Chlorobenzenes Fluorobenzenes Substituted pyrroles Pyridines and derivatives Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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）

ENPP2 Tchem Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (3 Activities)

Discover Target: ENPP2

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

作用メカニズム

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 E610247. InChIKey RKUKGCKNRLOSDX-QAQDUYKDSA-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.