FPL 62064 - 10mM in DMSO , CAS No.103141-09-9

CAS: 103141-09-9 Cat. No.: F420405 Fórmula: C₁₆H₁₅N₃O Peso molecular: 265.31

GRADE & PURITY 10mM in DMSO

Synonyms

WKLGNFJHVJIZPK-UHFFFAOYSA-N | MFCD00877802 | S0759 | 1H-Pyrazol-3-amine, N-(4-methoxyphenyl)-1-phenyl-;1H-Pyrazol-3-amine, N-(4-methoxyphenyl)-1-phenyl- | SCHEMBL5324598 | N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine | 1H-Pyrazol-3-amine, N-(4-methoxypheny

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

FPL 62064 FPL 62064 is a potent dual inhibitor of 5-lipoxygenase (5-LOX) and prostaglandin synthetase (cyclooxygenase, COX) with IC50 of 3.5 μM and 3.1 μM for RBL-1 cytosolic 5-lipoxygenase and seminal vesicle prostaglandin synthetase, respectively. FPL 62064 has potent anti-inflammatory activity.

Targets

seminal vesicle prostaglandin synthetase (Cell-free assay); RBL-1 cytosolic 5-LOX (Cell-free assay) 3.1 μM; 3.5 μM

Specifications

Sinónimos

WKLGNFJHVJIZPK-UHFFFAOYSA-N | MFCD00877802 | S0759 | 1H-Pyrazol-3-amine, N-(4-methoxyphenyl)-1-phenyl-;1H-Pyrazol-3-amine, N-(4-methoxyphenyl)-1-phenyl- | SCHEMBL5324598 | N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine | 1H-Pyrazol-3-amine, N-(4-methoxypheny

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

FPL 62064 is a potent dual inhibitor of 5-lipoxygenase (5-LOX) and prostaglandin synthetase (cyclooxygenase, COX) with IC50 of 3.5 μM and 3.1 μM for RBL-1 cytosolic 5-lipoxygenase and seminal vesicle prostaglandin synthetase, respectively. FPL 62064 has p

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Propriedades do produto

ALogP

4.129

hba_count

2

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

528764485

Sorrisos canónicos

COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3

IUPAC Name

N-(4-methoxyphenyl)-1-phenylpyrazol-3-amine

InChIKey

WKLGNFJHVJIZPK-UHFFFAOYSA-N

INCHI

1S/C16H15N3O/c1-20-15-9-7-13(8-10-15)17-16-11-12-19(18-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)

SMILES isoméricas

COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3

Peso molecular

265.31

Reaxy-Rn

13503711

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13503711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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 (humanos)

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• DMSO (mg/mL) Solubilidade máxima: 53
• DMSO (mM) Solubilidade máxima: 199.766311107761
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 265.310 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 265.122 Da
• Monoisotopic Mass: 265.122 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 285.000
• 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