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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H30OS
Molecular Weight 306.506
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPITIOSTANOL

SMILES

[H][C@]12C[C@]3([H])CC[C@@]4([H])[C@]5([H])CC[C@H](O)[C@@]5(C)CC[C@]4([H])[C@@]3(C)C[C@@]1([H])S2

InChI

InChIKey=OBMLHUPNRURLOK-XGRAFVIBSA-N
InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,16+,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H30OS
Molecular Weight 306.506
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Epitiostanol is androgenic antiestrogen developed for the treatment of breast cancer. The drug inhibits estrogen receptor and activates androgen receptor and was shown to be active in vitro on MCF-7, U-2 and U-3 cells. The current marketing status of Epitiostanol is unknown and is supposed to be "discontimued".

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.78 µM [Ki]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
THIODROL

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
MCF-7, U-2 and U-3 cell lines were treated with Epitiostanol to test the cells resistance. EC50 values were 3*10(-8), 3*10(-5) and 3*10(-5) M, respectively.
Substance Class Chemical
Record UNII
YE7586973L
Record Status Validated (UNII)
Record Version