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841205-47-8 molecular structure
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(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

ChemBase ID: 72566
Molecular Formular: C19H14F3N3O3
Molecular Mass: 389.3279696
Monoisotopic Mass: 389.09872598
SMILES and InChIs

SMILES:
C(=O)([C@@](COc1ccc(cc1)C#N)(C)O)Nc1cc(c(cc1)C#N)C(F)(F)F
Canonical SMILES:
N#Cc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N)(O)C
InChI:
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
InChIKey:
JNGVJMBLXIUVRD-SFHVURJKSA-N

Cite this record

CBID:72566 http://www.chembase.cn/molecule-72566.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
IUPAC Traditional name
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
Synonyms
(2S)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
(S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
OstarineNOT FOR SALE-PATENTED
MK-2866
Ostarine(MK-2866)
GTx-024
CAS Number
841205-47-8
PubChem SID
162037491
PubChem CID
11326715

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11326715 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.946099  H Acceptors
H Donor LogD (pH = 5.5) 3.2725205 
LogD (pH = 7.4) 3.2725086  Log P 3.2725208 
Molar Refractivity 95.0509 cm3 Polarizability 34.619236 Å3
Polar Surface Area 106.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Storage Condition
-20°C expand Show data source
MSDS Link
Download expand Show data source
Target
Androgen Receptor expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals TRC TRC
Selleck Chemicals - S1174 external link
Protocol
Kinase Assay [1]
In vitro competitive radioligand binding assay The AR binding affinity of Ostarine is determined using an in vitro competitive radioligand binding assay with [3H]mibolerone (MIB). Briefly, increasing concentrations (0.01-5000 nM) of Ostarine are incubated with rat cytosol, a saturating concentration of [3H]-MIB (1 nM), and 1000 nM triamcinolone acetonide to prevent interaction of MIB with progesterone receptors at 4 °C for 18 hours. At the end of incubation, free and bound [3H]-MIB are separated using the hydroxyapatite method. IC50 value is determined by computer-fitting the data for each ligand by nonlinear regression analysis.
Animal Study [1]
Animal Models Immature castrated male Sprague-Dawley rats
Formulation Dissolved in DMSO, and diluted in saline
Doses 1 mg/day
Administration Subcutaneous injection
References
[1] Kim J, et al. J Pharmacol Exp Ther, 2005, 315(1), 230-239.
[2] Duke CB, et al. J Med Chem, 2011, 54(11), 3973-3976.
Toronto Research Chemicals - O703500 external link
Nonsteroidal selective androgen receptor modulator (SARM) used in the treatment of osteoporosis and muscle wasting in animal models. A potential compound for the treatment of hypoactive sexual desire disorder.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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