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

CAS: 136468-36-5 Cat. No.: N133225 Formule: C₂₈H₄₀N₄S Poids moléculaire: 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

A conserver entre 2 et 8°C

Shipped In

Glace humide

Vue d’ensemble

Foropafant (SR27417) est un antagoniste du récepteur de l'activateur plaquettaire (PAF) très puissant, compétitif, sélectif et disponible par voie orale, qui empêche le [3H]PAF de se lier à son récepteur avec un Ki de 57 pM, soit au moins cinq fois moins que le PAF non marqué. Foropafant (SR27417) inhibe efficacement l'agrégation plaquettaire induite par le PAF chez le lapin et l'homme

Specifications

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Le SR 27417 est un antagoniste compétitif spécifique, très puissant et de longue durée d'action du récepteur du facteur d'activation des plaquettes (PAF).

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of PAF receptor

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 528774444
• Sourires canoniques: 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
• Isomères 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 Allemagne: 3
• Poids moléculaire: 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
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Cibles associées (humaines)

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)

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO: 5 mg/mL (clear solution, warmed)
• Poids moléculaire: 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