16-Dehydropregnenolone acetate

For Research Use Only.
Category
Steroids
Cat.No.
NP6241
CAS
979-02-2
Product Name
16-Dehydropregnenolone acetate
Structure

Product Details

Description
16-Dehydropregnenolone acetate is an impurity of Abiraterone, which is a CYP17A1 inhibitor and by extension androgen synthesis inhibitor. In combination with prednisone, it is indicated for the treatment of patients with metastatic castration-resistant prostate cancer who have already received prior chemotherapy containing docetaxel under the trade name Zytiga.
Synonyms
Dehydropregnenolone acetate; 16,17-Didehydropregnenolone acetate
IUPAC Name
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight
356.51
Molecular Formula
C23H32O3
Canonical SMILES
CC(=O)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChI
InChI=1S/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18-,20-,21-,22-,23+/m0/s1
InChIKey
MZWRIOUCMXPLKV-RFOVXIPZSA-N
Boiling Point
464.4±45.0 °C(Predicted)
Melting Point
167-170°C
Purity
> 95%
Density
1.11±0.1 g/cm3(Predicted)
Appearance
White to Off-white Solid
Storage
Store at 2 - 8 °C
Chemical Properties
Off-White Solid
EINECS
213-558-7
Hazard Class
Xi
Risk Statements
36/37/38
RTECS
TU4156200
Safety Statements
26-37/39
Uses
16-Dehydropregnenolone Acetate is the dehydration product of Pregnenolone Acetate. 16-Dehydropregnenolone Acetate is used in the preparation of pregnane derivatives and its glycosides as potential anticancer agents.
WGK Germany
2
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