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

CAS: 136468-36-5 Cat. No.: N133225 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of PAF receptor

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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 Germany: 3
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Monoterpenoids

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

Associated Targets(Human)

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)

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: 5 mg/mL (clear solution, warmed)
• Molecular Weight: 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