Foropafant - Moligand™, ≥98%(HPLC) , Antagonist of PAF receptor, CAS No.136468-36-5, Antagonist of PAF receptor

CAS: 136468-36-5 Cat. No.: N133225 分子式: C₂₈H₄₀N₄S 分子量: 464.71

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

piperidine-1,4-dicarboxylic acid tert-butyl ester ethyl ester | N-(2-Dimethylaminoethyl)-N-(3-pyridinylmethyl)(4-(2,4,6-triisopropylphenyl)thiazol-2-yl)amine | N,N-Dimethyl-N'-(3-pyridinylmethyl)-N'-(4-(2,4,6-tris(1-methylethyl)phenyl)-2-thiazolyl)-1,2-et

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Foropafant (SR27417) is a highly potent, competitive, selective, and orally available platelet activator (PAF) receptor antagonist that inhibits [3H]PAF from binding to its receptor with a Ki of 57 pM, at least five times lower than unlabeled PAF. Foropafant (SR27417) effectively inhibits PAF-induced platelet aggregation in rabbits and humans

Specifications

同義語

piperidine-1,4-dicarboxylic acid tert-butyl ester ethyl ester | N-(2-Dimethylaminoethyl)-N-(3-pyridinylmethyl)(4-(2,4,6-triisopropylphenyl)thiazol-2-yl)amine | N,N-Dimethyl-N'-(3-pyridinylmethyl)-N'-(4-(2,4,6-tris(1-methylethyl)phenyl)-2-thiazolyl)-1,2-et

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

SR 27417 is a long-acting, highly potent, specific competitive platelet-activating factor (PAF) receptor antagonist.

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of PAF receptor

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 528774444
• カノニカル・スマイル: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CSC(=N2)N(CCN(C)C)CC3=CN=CC=C3)C(C)C
• IUPAC Name: N,N-dimethyl-N'-(pyridin-3-ylmethyl)-N'-[4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl]ethane-1,2-diamine
• InChIKey: VVBFISAUNSXQGZ-UHFFFAOYSA-N
• INCHI: 1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3
• 異性体SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CSC(=N2)N(CCN(C)C)CC3=CN=CC=C3)C(C)C
• WGKドイツ: 3
• 分子量: 464.71
• Reaxy-Rn: 7500513
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7500513&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Dialkylarylamines 2,4-disubstituted thiazoles Pyridines and derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Pyridine - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

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)

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO: 5 mg/mL (clear solution, warmed)
• 分子量: 464.700 g/mol
• XLogP3: 6.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 464.297 Da
• Monoisotopic Mass: 464.297 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 548.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1