example 36 [WO2016177845] - Moligand™ , Inhibitor of Leukotriene C4 synthase, CAS No.E610248, Inhibitor of Leukotriene C4 synthase

CAS: E610248 Cat. No.: E610248 PubChem CID: 122670075

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of Leukotriene C4 synthase

Namen und Kennungen

• Kanonisches Lächeln: COc1cc(cnc1C(=O)C1CC1C(=O)O)N(c1ccc2c3c1cccc3CC2)CC1CC1
• IUPAC Name: 2-[5-[cyclopropylmethyl(1,2-dihydroacenaphthylen-5-yl)amino]-3-methoxypyridine-2-carbonyl]cyclopropane-1-carboxylic acid
• InChIKey: FQHWQFIPEVBFKT-UHFFFAOYSA-N
• INCHI: 1S/C27H26N2O4/c1-33-23-11-18(13-28-25(23)26(30)20-12-21(20)27(31)32)29(14-15-5-6-15)22-10-9-17-8-7-16-3-2-4-19(22)24(16)17/h2-4,9-11,13,15,20-21H,5-8,12,14H2,1H3,(H,31,32)
• Isomere SMILES: COC1=C(N=CC(=C1)N(CC2CC2)C3=CC=C4CCC5=C4C3=CC=C5)C(=O)C6CC6C(=O)O
• PubChem CID: 122670075

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Naphthalenes Gamma-keto acids and derivatives Aryl alkyl ketones Aminopyridines and derivatives Alkyl aryl ethers Cyclopropanecarboxylic acids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Naphthalene - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Aminopyridine - Alkyl aryl ether - Benzenoid - Pyridine - Keto acid - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Heteroaromatic compound - Amino acid - Ketone - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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

Zugehörige Ziele (menschlich)

LTC4S Tchem Leukotriene C4 synthase (2 Activities)

Discover Target: LTC4S

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

Wirkungsmechanismen

Häufig gestellte Fragen

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 E610248. InChIKey FQHWQFIPEVBFKT-UHFFFAOYSA-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.