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(Rac) -PF-998425

CAT: 0931-T38467Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T38467Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1076225-26-7
Target
Androgen Receptor, Others
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
(Rac) -PF-998425 is a potent, selective, nonsteroidal androgen receptor (AR) antagonist with IC50 values of 26 nM in AR binding assays and 90 nM in cellular assays, respectively. This compound shows promise for investigating androgenetic alopecia.
Smiles
OC1CCCCC1c1ccc(C#N)c(c1)C(F)(F)F
Molecular Formula
C14H14F3NO
Molecular Weight
269.267
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-Hydroxycyclohexyl)-2-(trifluoromethyl)benzonitrile

structure in first source

CAS Number1076225-26-7
PubChem CID25093229
IUPAC Name4-(2-hydroxycyclohexyl)-2-(trifluoromethyl)benzonitrile
Molecular FormulaC14H14F3NO
Molecular Weight269.26
XLogP3.3
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity359
SMILES
C1CCC(C(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
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
InChIKey
MENRRRXHFQYXDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Hydroxycyclohexyl)-2-(trifluoromethyl)benzonitrile
CAS: 1076225-26-7
CID: 25093229
Formula: C14H14F3NO
MW: 269.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.26
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass269.10274856
Monoisotopic Mass269.10274856
Topological Polar Surface Area44 Ų
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5802674(Rac)-PF-998425
HY-14250A-01(Rac) -PF-998425
HY-119943A-01(Rac) -PF-06256142
HY-13245B-01(Rac) -PF-4136309
GTR19204980-01(Rac) -PF-06250112
HY-107591(Rac) -PF-184
MBS5767461(Rac)-PF-06250112
A11136-10(Rac) -PF-4136309 ((Rac) -INCB8761) 10mg
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