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

CAS: 136468-36-5 Cat. No.: N133225 분자식: C₂₈H₄₀N₄S 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%(HPLC)

생화학 및 생리적 메커니즘

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

보관 조건

Store at 2-8°C

배송

Wet ice

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of PAF receptor

순수함

≥98%(HPLC)

이름과 식별자

• Pubchem Sid: 528774444
• 정식 스마일: 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
• 이성체 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 독일: 3
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

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

관련 대상(인간)

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)

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO: 5 mg/mL (clear solution, warmed)
• 분자량: 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