BW 755C - Moligand™, ≥95% , CAS No.66000-40-6

CAS: 66000-40-6 Cat. No.: B647605 Molecular Weight: 229.20 EC Number: 266-051-8 PubChem CID: 47795

GRADE & PURITY Moligand™, ≥95%

Synonyms

3-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline | 1-[3-(trifluoromethyl)phenyl]-3-amino-2-pyrazoline | UNII-6V6JF56BXO | 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine | SR-01000025386 | SR-01000025386-1 | 3-amino-1-(alpha,alpha,alpha-trifluo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BW 755C is a 5-lipoxygenase ( 5-LO ) inhibitor with an IC 50 of 5 μM. BW 755C also inhibits cyclooxygenase ( COX ) with IC 50 s of 0.65 and 1.2 μg/mL against COX-1 and COX-2 , respectively

In Vivo

BW 755C (0.03-10 mg/rat; s.c.; once) inhibits the ovulation rate and ovarian levels of 5-HETE and 12-HETE in rats. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Immature Wistar rats ~22 days of ageDosage: 0.03, 0.1, 0.3, 1.0, 3.1 and 10 mg/rat Administration: Subcutaneous injection, once Result: Reduced 5-HETE (moderately) and 12-HETE (strongly).

Form:Solid

IC50& Target:5-LO|5 μM (IC|50|)|COX-1|0.65 μg/mL (IC|50|)|COX-2|1.2 μg/mL (IC|50|)

Specifications

Synonyms

3-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline | 1-[3-(trifluoromethyl)phenyl]-3-amino-2-pyrazoline | UNII-6V6JF56BXO | 2-[3-(trifluoromethyl)phenyl]-3, 4-dihydropyrazol-5-amine | SR-01000025386 | SR-01000025386-1 | 3-amino-1-(alpha, alpha, alpha-trifluo

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

BW 755C is a 5-lipoxygenase ( 5-LO ) inhibitor with an IC 50 of 5 μM. BW 755C also inhibits cyclooxygenase ( COX ) with IC 50 s of 0.65 and 1.2 μg/mL against COX-1 and COX-2 , respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F
• IUPAC Name: 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
• InChIKey: CPXGGWXJNQSFEP-UHFFFAOYSA-N
• INCHI: 1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
• Isomeric SMILES: C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F
• Alternate CAS: 66000-40-6
• PubChem CID: 47795
• MeSH Entry Terms: 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine;BW 755C;BW-755C;BW755C
• Molecular Weight: 229.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Trifluoromethylbenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Imidolactams Pyrazolines Amidrazones Hydrazones Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Imidolactam - Pyrazoline - Carboxylic acid amidrazone - Amidine - Hydrazone - Azacycle - Organoheterocyclic compound - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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)

ALOX5 Tclin Arachidonate 5-lipoxygenase (1 Activities)

Discover Target: ALOX5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

PTGS2 Tclin Cyclooxygenase (1258 Activities)

Discover Target: PTGS2

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

Associated Targets(non-human)

PLA2G1B Phospholipase A2 group 1B (227 Activities)

Discover Target: PLA2G1B

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

Cavia porcellus (23802 Activities)

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

Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 229.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.083 Da
• Monoisotopic Mass: 229.083 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 288.000
• 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