example 373 [WO2012093101] - Moligand™ , Inhibitor of complement factor D, CAS No.E610249, Inhibitor of complement factor D

CAS: E610249 Cat. No.: E610249 PubChem CID: 57412074

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of complement factor D

Noms et identifiants

• Sourires canoniques: N#CCOc1ccc2c(c1)c(NC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)NCc1cccc(c1F)Cl)cn2C(=O)N
• IUPAC Name: (1R,3S,5R)-2-N-[1-carbamoyl-5-(cyanomethoxy)indol-3-yl]-3-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
• InChIKey: SOCAXRLFGRNEPK-IFZYUDKTSA-N
• INCHI: 1S/C25H22ClFN6O4/c26-17-3-1-2-13(22(17)27)11-30-23(34)21-9-14-8-20(14)33(21)25(36)31-18-12-32(24(29)35)19-5-4-15(10-16(18)19)37-7-6-28/h1-5,10,12,14,20-21H,7-9,11H2,(H2,29,35)(H,30,34)(H,31,36)/t14-,20-,21+/m1/s1
• Isomères SMILES: C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NCC3=C(C(=CC=C3)Cl)F)C(=O)NC4=CN(C5=C4C=C(C=C5)OCC#N)C(=O)N
• PubChem CID: 57412074

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Alpha amino acid amides Piperidinecarboxamides Indoles Pyrrolidinecarboxamides Pyrrole carboxamides Phenol ethers Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Nitriles Azacyclic compounds Organochlorides Organofluorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Indolecarboxamide derivative - Alpha-amino acid or derivatives - Indole - 1-piperidinecarboxamide - 2-piperidinecarboxamide - Piperidinecarboxamide - Phenol ether - Pyrrole-1-carboxamide - Pyrrole-1-carboxylic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine-1-carboxamide - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Substituted pyrrole - Benzenoid - Piperidine - Pyrrole - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Ether - Azacycle - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Cibles associées (humaines)

CFD Tchem Complement factor D (3 Activities)

Discover Target: CFD

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

Mécanismes d'action

Foire aux questions

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 E610249. InChIKey SOCAXRLFGRNEPK-IFZYUDKTSA-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.