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

CAS: 103141-09-9 Cat. No.: F420405 Molecular Weight: 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

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Product Properties

• ALogP: 4.129
• hba_count: 2
• HBD Count: 1
• Rotatable Bond: 4

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: COC1=CC=C(C=C1)NC2=NN(C=C2)C3=CC=CC=C3
• Molecular Weight: 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
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

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

• Sensitivity: Light sensitive
• DMSO(mg / mL) Max Solubility: 53
• DMSO(mM) Max Solubility: 199.766311107761
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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