Gestodene-d6 - CAS 1542211-40-4

Gestodene-d6 is intended for use as an internal standard for the quantification of gestodene by GC- or LC-MS. Gestodene is a progestin. It selectively binds to the progesterone receptor over the estrogen receptor. Gestodene induces transcriptional activity mediated by the progesterone receptor, and, weakly, the androgen receptor in reporter assays. It increases the growth of MCF-7 cells when used at concentrations ranging from 0.1 to 1 µM.4 In contrast, gestodene (0.1 mg/kg) reduces tumor growth in an estrogen-dependent model of rat mammary tumors induced by DMBA. Formulations containing gestodene, in combination with ethynyl estradiol have been used as oral contraceptives.

Catalog Number: I028016

CAS Number: 1542211-40-4

Molecular Formula: C21H20D6O2

Molecular Weight:316.4736

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsGestodene-d6; Gestodene d6;

Property

Molecular Formula: C21H20D6O2
Molecular Weight316.4736
SolubilityTo be determined
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC Name(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one-2,2,4,6,6,10-d6
InChIInChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1/i5D2,6D2,13D,16D
InChIKeySIGSPDASOTUPFS-PWFLSJGKSA-N
SMILESCC[C@]12[C@]([H])([C@]3([C@]([H])(CC2)[C@@]4(C(C([2H])(C3)[2H])=C(C(C([2H])(C4)[2H])=O)[2H])[2H])[H])C=C[C@]1(C#C)O