5696-51-5

Basic information

• Product Name: (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione
• Synonyms: (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione;(5R,8R,9R,10S,13S,14S)-13-methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione(WX116160)
• CAS NO: 5696-51-5
• Molecular Formula: C₁₈H₂₆O₂
• Molecular Weight: 274.39784
• EINECS: -0
• Mol File: 5696-51-5.mol
• Article Data: 19

Chemical Properties

• Melting Point: 179-181 °C
• Boiling Point: 411.2±45.0 °C(Predicted)
• Appearance: /
• Density: 1.087±0.06 g/cm3(Predicted)
• CAS DataBase Reference: (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione(5696-51-5)
• EPA Substance Registry System: (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione(5696-51-5)

Safety Data

• Hazardous Substances Data: 5696-51-5(Hazardous Substances Data)

Usage

General Description

The chemical compound (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione is a steroid derivative, also known as a dione. It possesses a steroid core structure with a cyclopenta[a]phenanthrene backbone and a ketone functional group at positions 3 and 17. (5R,8R,9R,10S,13S,14S)-13-Methyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione is a synthetic derivative of naturally occurring steroids and may have potential pharmacological properties due to its structural similarity to natural steroid hormones. Its specific biological activities and potential applications would depend on further research and investigation.

Upstream product

• 10002-97-8 5β‐estrane‐3α,17β‐diol 
• 19468-31-6 17β-hydroxy-19-nor-5β-androstan-3-one 
• 7732-18-5 water 
• 64-19-7 acetic acid 
• 53-16-7 Estrone 
• 50-28-2 estradiol 
• 734-32-7 estra-4-ene-3,17-dione 
• 434-22-0 19-nortestosterone 
• 5696-50-4 5β-estrane-3,17-ethylene diketal 
• 734-32-7 19-nor-androst-4-ene-3,17-dione 

Downstream Products

• 734-32-7 estra-4-ene-3,17-dione 
• 101469-27-6 5β-estr-1-ene-3,17-dione 
• 33036-33-8 3α-hydroxy-19-nor-5β-androstan-17-one 
• 1430063-08-3 C₂₀H₃₂O₃ 

Relevant articles and documents

NEUROACTIVE STEROIDS AND COMPOSITIONS AND METHODS THEREOF

The invention provides novel neuroactive steroids and pharmaceutical compositions thereof, as well as methods of their preparation and use, in therapy of various diseases and conditions, for example, various neurological or brain diseases.

Steroid compound, application and preparation method thereof

The invention relates to a steroid compound, an application and a preparation method thereof. The compounds are expected to be capable of effectively treating neuropsychiatric diseases, and have goodactive efficacy, pharmacokinetic (PK) performance, oral

Neuroactive Steroids. 2. 3α-Hydroxy-3β-methyl-21-(4-cyano-1H-pyrazol-1′-yl)-19-nor-5β-pregnan-20-one (SAGE-217): A Clinical Next Generation Neuroactive Steroid Positive Allosteric Modulator of the (γ-Aminobutyric Acid)A Receptor

Certain classes of neuroactive steroids (NASs) are positive allosteric modulators (PAM) of synaptic and extrasynaptic GABAA receptors. Herein, we report new SAR insights in a series of 5β-nor-19-pregnan-20-one analogues bearing substituted pyrazoles and triazoles at C-21, culminating in the discovery of 3α-hydroxy-3β-methyl-21-(4-cyano-1H-pyrazol-1′-yl)-19-nor-5β-pregnan-20-one (SAGE-217, 3), a potent GABAA receptor modulator at both synaptic and extrasynaptic receptor subtypes, with excellent oral DMPK properties. Compound 3 has completed a phase 1 single ascending dose (SAD) and multiple ascending dose (MAD) clinical trial and is currently being studied in parallel phase 2 clinical trials for the treatment of postpartum depression (PPD), major depressive disorder (MDD), and essential tremor (ET).