ChemicalBook--->CAS DataBase List--->1076225-27-8

1076225-27-8

1076225-27-8 Structure

1076225-27-8 Structure
IdentificationBack Directory
[Name]

4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
[CAS]

1076225-27-8
[Synonyms]

PF 998425
PF-0998425
4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
Benzonitrile, 4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)-
rel-(-)-4-[(1R,2R)-2-Hydroxycyclohexyl]-2-(trifluoroMethyl)benzonitrile
[Molecular Formula]

C14H14F3NO
[MDL Number]

MFCD17215970
[MOL File]

1076225-27-8.mol
[Molecular Weight]

269.26
Chemical PropertiesBack Directory
[Boiling point ]

365.2±42.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[storage temp. ]

Store at +4°C
[solubility ]

DMSO: ≥10mg/mL
[form ]

powder
[pka]

14.84±0.40(Predicted)
[color ]

white to off-white
[InChI]

1S/C14H14F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h5-7,11,13,19H,1-4H2/t11-,13-/m1/s1
[InChIKey]

MENRRRXHFQYXDW-DGCLKSJQSA-N
[SMILES]

O[C@@H]1CCCC[C@@H]1c2ccc(C#N)c(c2)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

PF-998425 is a novel, nonsteroidal androgen receptor antagonist for sebum control and treatment of androgenetic alopecia.
[Biological Activity]

PF-998425 is a novelnonsteroidal androgen receptor antagonist.
[in vivo]

PF-998425 (Compound (-)-6a) is rapidly metabolized in rat liver microsomes (t1/2=4 min, CLint=350 (μL/min)/mg protein). In vivo clearance data in dogs are consistent with the high clearance predicted in vitro in rat. Following intravenous administration of PF-998425, mean systemic plasma clearance is 40 (mL/min)/kg. The mean apparent of volume of distribution at steady state is 6.5 L/kg, and the mean terminal phase half-life is 2.6 h[1].

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