FPR A14 - ≥98% , CAS No.329691-12-5

CAS: 329691-12-5 Cat. No.: F331919 Fórmula: C₂₃H₂₀N₂O₅ Peso molecular: 404.42

GRAU & PUREZA ≥98%

Synonyms

(Z)-N'-(4-(benziloxi)-3-metoxibenzilideno)benzo[d][1,3]dioxole-5-carbohidrazida

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O FPR A14 é um agonista do FPR (recetor do péptido de formilo) que ativa potentemente os neutrófilos in vitro (os valores de EC|50| são 42 e 630 nM para a quimiotaxia dos neutrófilos e a mobilização de Ca|2+, respetivamente).

Especificações

Sinónimos

(Z)-N'-(4-(benziloxi)-3-metoxibenzilideno)benzo[d][1,3]dioxole-5-carbohidrazida

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

AGONIST

Pureza

≥98%

Propriedades do produto

pKa

pKa: 11.57 (Predicted)

Nomes e identificadores

Pubchem Sid

528764486

Sorrisos canónicos

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-

SMILES isoméricas

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

Peso molecular

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
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

J774.A1 (2436 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (100 mM).
• Peso molecular: 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