israpafant - Moligand™ , Antagonist of PAF receptor, CAS No.117279-73-9, Antagonist of PAF receptor

CAS: 117279-73-9 Cat. No.: I611196 PubChem CID: 119175

GRADE & PURITY Moligand™

Synonyms

NCGC00183008-01 | DTXSID5020312 | AKOS040748599 | 4-(2-chlorophenyl)-6,9-dimethyl-2-{2-[4-(2-methylpropyl)phenyl]ethyl}-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine | ISRAPAFANT [WHO-DD] | (+-)-4-(o-Chlorophenyl)-2-(p-isobutylphenethyl)-6,9-dimeth

Storage

Room temperature

Specifications

同義語

NCGC00183008-01 | DTXSID5020312 | AKOS040748599 | 4-(2-chlorophenyl)-6,9-dimethyl-2-{2-[4-(2-methylpropyl)phenyl]ethyl}-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine | ISRAPAFANT [WHO-DD] | (+-)-4-(o-Chlorophenyl)-2-(p-isobutylphenethyl)-6,9-dimeth

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of PAF receptor

名前と識別子

• カノニカル・スマイル: CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C
• IUPAC Name: 7-(2-chlorophenyl)-9,13-dimethyl-4-[2-[4-(2-methylpropyl)phenyl]ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
• InChIKey: RMSWMRJVUJSDGN-UHFFFAOYSA-N
• INCHI: 1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3
• 異性体SMILES: CC1C2=NN=C(N2C3=C(C=C(S3)CCC4=CC=C(C=C4)CC(C)C)C(=N1)C5=CC=CC=C5Cl)C
• 代替CAS番号: 117279-73-9
• PubChem CID: 119175
• MeSH用語: 4-(2-chlorophenyl)-2-(2-(4-isobutylphenyl)ethyl)-6,9-dimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine;Y 24180;Y-24180

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Thienodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Thienodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienodiazepines
• Alternative Parents: Phenylpropanes 2,3,5-trisubstituted thiophenes Chlorobenzenes 1,4-diazepines Aryl chlorides Triazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thieno-para-diazepine - Phenylpropane - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Azole - 1,2,4-triazole - Thiophene - Ketimine - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
• 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）

PTAFR Tchem Platelet-activating factor receptor (1 Activities)

Discover Target: PTAFR

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 489.100 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 488.18 Da
• Monoisotopic Mass: 488.18 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 709.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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 117279-73-9. InChIKey RMSWMRJVUJSDGN-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.