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Ru 58841

CAS No.:
154992-24-2
Catalog Number:
AG001NIP
Molecular Formula:
C17H18F3N3O3
Molecular Weight:
369.3383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$137
- +
1g
95%
In Stock USA
United States
$290
- +
Product Description
Catalog Number:
AG001NIP
Chemical Name:
Ru 58841
CAS Number:
154992-24-2
Molecular Formula:
C17H18F3N3O3
Molecular Weight:
369.3383
MDL Number:
MFCD00925776
IUPAC Name:
4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
InChI Key:
ARBYGDBJECGMGA-UHFFFAOYSA-N
SMILES:
OCCCCN1C(=O)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
UNII:
0D8FJQ0ADW
Properties
Complexity:
611  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.13g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
369.344g/mol
Monoisotopic Mass:
369.13g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay. Bioorganic & medicinal chemistry letters 20100101
Diphenyl ethers as androgen receptor antagonists for the topical suppression of sebum production. Bioorganic & medicinal chemistry letters 20090415
4-(Alkylthio)- and 4-(arylthio)-benzonitrile derivatives as androgen receptor antagonists for the topical suppression of sebum production. Bioorganic & medicinal chemistry letters 20090301
Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications. Journal of medicinal chemistry 20081113
Novel vesicular and particulate drug delivery systems for topical treatment of acne. Expert opinion on drug delivery 20080601
(1R,2S)-4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzonitrile, a potent androgen receptor antagonist for stimulating hair growth and reducing sebum production. Bioorganic & medicinal chemistry letters 20071101
Preparation of 4-aryl-2-trifluoromethylbenzonitrile derivatives as androgen receptor antagonists for topical suppression of sebum production. Bioorganic & medicinal chemistry letters 20071015
Synthesis and biological evaluation of amino-pyridines as androgen receptor antagonists for stimulating hair growth and reducing sebum production. Bioorganic & medicinal chemistry letters 20071015
Cyproterone acetate loading to lipid nanoparticles for topical acne treatment: particle characterisation and skin uptake. Pharmaceutical research 20070501
Three-dimensional structure-activity relationships of nonsteroidal ligands in complex with androgen receptor ligand-binding domain. Journal of medicinal chemistry 20050224
Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands. Bioorganic & medicinal chemistry letters 20041101
Synthesis and structure-activity studies of side-chain derivatized arylhydantoins for investigation as androgen receptor radioligands. Bioorganic & medicinal chemistry letters 20010423
Properties