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MedKoo Cat#: 532464 | Name: PF0998425
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

PF0998425 is a novel, nonsteroidal androgen receptor antagonist for sebum control and treatment of androgenetic alopecia. It is potent, selective, and active in vivo. The compound is rapidly metabolized systemically, thereby reducing the risk of unwanted systemic side effects due to its primary pharmacology.

Chemical Structure

PF0998425
PF0998425
CAS#1076225-27-8

Theoretical Analysis

MedKoo Cat#: 532464

Name: PF0998425

CAS#: 1076225-27-8

Chemical Formula: C14H14F3NO

Exact Mass: 269.1027

Molecular Weight: 269.27

Elemental Analysis: C, 62.45; H, 5.24; F, 21.17; N, 5.20; O, 5.94

Price and Availability

Size Price Availability Quantity
5mg USD 400.00
25mg USD 930.00 2 Weeks
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Related CAS #
No Data
Synonym
PF0998425; PF 0998425; PF-0998425; PF-998425; PF998425; PF 998425;
IUPAC/Chemical Name
4-[(1R,2R)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzonitrile
InChi Key
MENRRRXHFQYXDW-DGCLKSJQSA-N
InChi Code
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
SMILES Code
N#CC1=CC=C([C@@H]2[C@H](O)CCCC2)C=C1C(F)(F)F
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
PF-998425 is a potent, selective nonsteroidal androgen receptor (AR) antagonist with an IC50 of 37 nM and 43 nM in AR binding and cellular assays.
In vitro activity:
TBD
In vivo activity:
4-((1 R,2 R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile [PF-0998425, (-)- 6a] is a novel, nonsteroidal androgen receptor antagonist for sebum control and treatment of androgenetic alopecia. It is potent, selective, and active in vivo. The compound is rapidly metabolized systemically, thereby reducing the risk of unwanted systemic side effects due to its primary pharmacology. (-)- 6a was tested negative in the 3T3 NRU assay, validating the rationale that reduction of conjugation might reduce potential phototoxicity. Reference: J Med Chem. 2008 Nov 13;51(21):7010-4. https://pubmed.ncbi.nlm.nih.gov/18921992/
Solvent mg/mL mM comments
Solubility
DMSO 50.0 185.69
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 269.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
Li JJ, Iula DM, Nguyen MN, Hu LY, Dettling D, Johnson TR, Du DY, Shanmugasundaram V, Van Camp JA, Wang Z, Harter WG, Yue WS, Boys ML, Wade KJ, Drummond EM, Samas BM, Lefker BA, Hoge GS, Lovdahl MJ, Asbill J, Carroll M, Meade MA, Ciotti SM, Krieger-Burke T. 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. J Med Chem. 2008 Nov 13;51(21):7010-4. doi: 10.1021/jm8009316. Epub 2008 Oct 16. PMID: 18921992.
In vitro protocol:
TBD
In vivo protocol:
Li JJ, Iula DM, Nguyen MN, Hu LY, Dettling D, Johnson TR, Du DY, Shanmugasundaram V, Van Camp JA, Wang Z, Harter WG, Yue WS, Boys ML, Wade KJ, Drummond EM, Samas BM, Lefker BA, Hoge GS, Lovdahl MJ, Asbill J, Carroll M, Meade MA, Ciotti SM, Krieger-Burke T. 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. J Med Chem. 2008 Nov 13;51(21):7010-4. doi: 10.1021/jm8009316. Epub 2008 Oct 16. PMID: 18921992.
Li JJ, Iula DM, Nguyen MN, Hu LY, Dettling D, Johnson TR, Du DY, Shanmugasundaram V, Van Camp JA, Wang Z, Harter WG, Yue WS, Boys ML, Wade KJ, Drummond EM, Samas BM, Lefker BA, Hoge GS, Lovdahl MJ, Asbill J, Carroll M, Meade MA, Ciotti SM, Krieger-Burke T. 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. J Med Chem. 2008 Nov 13;51(21):7010-4. doi: 10.1021/jm8009316. Epub 2008 Oct 16. PMID: 18921992. Oh, S., Nam, H. J., Park, J., Beak, S. H., & Park, S. B. (2010). Development of a Benzopyran‐Containing Androgen Receptor Antagonist to Treat Antiandrogen‐Resistant Prostate Cancer. ChemMedChem: Chemistry Enabling Drug Discovery, 5(4), 529-533. Fleming, F. F., Yao, L., Ravikumar, P. C., Funk, L., & Shook, B. C. (2010). Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore. Journal of medicinal chemistry, 53(22), 7902-7917.