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

CAS: 66000-40-6 Cat. No.: B647605 Formula: C₁₀H₁₀F₃N₃ Peso molecolare: 229.20 Numero EC: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥95%

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 528763534
• Sorrisi canonici: 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)
• Isomeri SMILES: C1CN(N=C1N)C2=CC=CC(=C2)C(F)(F)F
• CAS alternativo: 66000-40-6
• PubChem CID: 47795
• Termini MeSH: 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine;BW 755C;BW-755C;BW755C
• Peso molecolare: 229.20

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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PTGS2 Tclin Cyclooxygenase (1258 Activities)

Discover Target: PTGS2

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Cavia porcellus (23802 Activities)

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Mus musculus (284745 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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