Basic information
- CAS
66000-40-6- Standard SMILES
NC1=NN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N- Molecular formula
- C10H10F3N3
- Average molar mass
- 229.2 g/mol
- Monoisotopic mass
- 229.08268182
Overview
A dual inhibitor of both cyclooxygenase and lipoxygenase pathways. It exerts an anti-inflammatory effect by inhibiting the formation of prostaglandins and leukotrienes. The drug also enhances pulmonary hypoxic vasoconstriction and has a protective effect after myocardial ischemia.
Names & identifiers
- Preferred name
- 4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine
- English name
- 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
- Molecular formula
- C10H10F3N3
- Molecular weight
- 229.2017096
Names & synonyms
66000-40-6BW 755CBW-755CBW755C4,5-Dihydro-1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-amine4,5-DIHYDRO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-3-AMINE6V6JF56BXODTXSID302162131H-Pyrazol-3-amine, 4,5-dihydro-1-(3-(trifluoromethyl)phenyl)-RefChem:388753DTXCID30138704266-051-8
Show more names
CGS-13592BW 755C, 10 mM in DMSO3-amino-1--2-pyrazoline1H-Pyrazol-3-amine, 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-
1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazol-3-amine2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amineCHEMBL2746423-Amino-1-(3-(trifluoromethyl)phenyl)-2-pyrazoline1-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-3-amine1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamineUNII-6V6JF56BXOEINECS 266-051-8
Database identifiers
- CAS
66000-40-6- PubChem CID
- 47795
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 308.5 · 308.5±52.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml · ≤30mg/ml in ethanol;30mg/ml in DMSO;25mg/ml in dimethyl formamide
- form
- crystalline solid
- pka
- 2.57 · 2.57±0.70(Predicted)
- color
- Brown to reddish brown
- FDA UNII
- 6 V6JF56BXO · 6V6JF56BXO
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Compounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Applications
UsesBW 755C is a 5-lipoxygenase (5-LO) inhibitor with an IC50 of 5 μM. BW 755C also inhibits cyclooxygenase (COX) with IC50s of 0.65 and 1.2 μg/mL against COX-1 and COX-2, respectively[1][2].
Suppliers19 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Aladdin Scientific[email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
Related reactions
17 records
Compound notes
Loading…