FPR A14 - ≥98% , CAS No.329691-12-5

CAS: 329691-12-5 Cat. No.: F331919 分子式: C₂₃H₂₀N₂O₅ 分子量: 404.42

グレード＆純度 ≥98%

Synonyms

(Z)-N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

FPR A14 is a FPR (Formyl peptide receptor) agonist that potently activates neutrophils|in vitro|(EC|50|values are 42 and 630 nM for neutrophil chemotaxis and Ca|2+|mobilization respectively).

仕様

同義語

(Z)-N'-(4-(benzyloxy)-3-methoxybenzylidene)benzo[d][1,3]dioxole-5-carbohydrazide

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

アクションタイプ

AGONIST

純度

≥98%

製品の性質

pKa

pKa: 11.57 (Predicted)

名前と識別子

パブケム・シド

528764486

カノニカル・スマイル

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

IUPAC Name

N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

InChIKey

ULOKADSYVZOTTL-CFRMEGHHSA-N

INCHI

1S/C23H20N2O5/c1-27-21-11-17(7-9-19(21)28-14-16-5-3-2-4-6-16)13-24-25-23(26)18-8-10-20-22(12-18)30-15-29-20/h2-13H,14-15H2,1H3,(H,25,26)/b24-13-

異性体SMILES

COC1=C(C=CC(=C1)/C=N\NC(=O)C2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4

分子量

404.42

Reaxy-Rn

18600659

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18600659&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxacyclic compounds Carboxylic acids and derivatives Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxacycle - Acetal - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon 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（非人間）

J774.A1 (2436 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO (100 mM).
• 分子量: 404.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 404.137 Da
• Monoisotopic Mass: 404.137 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 580.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1