example 1.11 [WO2014139978] - Moligand™ , Inhibitor of autotaxin, CAS No.E610235, Inhibitor of autotaxin

CAS: E610235 Cat. No.: E610235 PubChem CID: 90421763

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of autotaxin

Nombres e identificadores

• Sonrisas canónicas: O=C(N1C[C@H]2[C@H](C1)CN(C2)C(=O)c1ccc(c(c1)F)S(=O)(=O)N)OCc1ccc(cc1)OC(F)(F)F
• IUPAC Name: [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(3-fluoro-4-sulfamoylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
• InChIKey: PCBOWMZAEDDKNH-HOTGVXAUSA-N
• INCHI: 1S/C22H21F4N3O6S/c23-18-7-14(3-6-19(18)36(27,32)33)20(30)28-8-15-10-29(11-16(15)9-28)21(31)34-12-13-1-4-17(5-2-13)35-22(24,25)26/h1-7,15-16H,8-12H2,(H2,27,32,33)/t15-,16-/m0/s1
• Isómeros SMILES: C1[C@H]2CN(C[C@@H]2CN1C(=O)C3=CC(=C(C=C3)S(=O)(=O)N)F)C(=O)OCC4=CC=C(C=C4)OC(F)(F)F
• PubChem CID: 90421763

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 3-halobenzoic acids and derivatives Benzyloxycarbonyls Benzamides Benzenesulfonyl compounds Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Benzoyl derivatives N-acylpyrrolidines Fluorobenzenes Organosulfonamides Aryl fluorides Carbamate esters Tertiary carboxylic acid amides Aminosulfonyl compounds Trihalomethanes Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzyloxycarbonyl - Benzenesulfonamide - Benzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoyl - Phenoxy compound - N-acylpyrrolidine - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Organosulfonic acid amide - Aminosulfonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Pyrrolidine - Organic sulfonic acid or derivatives - Trihalomethane - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organofluoride - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Objetivos asociados (humanos)

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

Discover Target: ENPP2

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

Mecanismos de acción

Preguntas frecuentes

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 E610235. InChIKey PCBOWMZAEDDKNH-HOTGVXAUSA-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.