99985-55-4

Basic information

• Product Name: Ethanone, 2-(dimethylamino)-1-(3-methoxyphenyl)-
• CAS NO: 99985-55-4
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Mol File: 99985-55-4.mol

Chemical Properties

• CAS DataBase Reference: Ethanone, 2-(dimethylamino)-1-(3-methoxyphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanone, 2-(dimethylamino)-1-(3-methoxyphenyl)-(99985-55-4)
• EPA Substance Registry System: Ethanone, 2-(dimethylamino)-1-(3-methoxyphenyl)-(99985-55-4)

Safety Data

• Hazardous Substances Data: 99985-55-4(Hazardous Substances Data)

Upstream product

• 5000-65-7 2-bromo-3'-methoxyacetophenone 
• 124-40-3 dimethyl amine 

Downstream Products

• 586-37-8 1-(3-Methoxyphenyl)ethanone 
• 927997-33-9 C₁₁H₁₈N₂O 
• 1240480-53-8 2-dimethylamino-1-(3-methoxy-phenyl)ethanone oxime 

Relevant articles and documents

Structure-Based Design and Discovery of New M2 Receptor Agonists

Muscarinic receptor agonists are characterized by apparently strict restraints on their tertiary or quaternary amine and their distance to an ester or related center. On the basis of the active state crystal structure of the muscarinic M2 receptor in complex with iperoxo, we explored potential agonists that lacked the highly conserved functionalities of previously known ligands. Using structure-guided pharmacophore design followed by docking, we found two agonists (compounds 3 and 17), out of 19 docked and synthesized compounds, that fit the receptor well and were predicted to form a hydrogen-bond conserved among known agonists. Structural optimization led to compound 28, which was 4-fold more potent than its parent 3. Fortified by the discovery of this new scaffold, we sought a broader range of chemotypes by docking 2.2 million fragments, which revealed another three micromolar agonists unrelated either to 28 or known muscarinics. Even pockets as tightly defined and as deeply studied as that of the muscarinic reveal opportunities for the structure-based design and the discovery of new chemotypes.

NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES

The invention provides novel substituted amino azaheterocyclic carboxamide compounds according to Formula (I), their manufacture and use for the treatment of hyperproliferative diseases, such as cancer.

HELIX 12 DIRECTED STEROIDAL PHARMACEUTICAL PRODUCTS

Compounds having the structure or their salts: are used to treat or reduce le likelihood of acquiring androgen-dependent diseases, such as prostate cancer, benign prostatic hyperplasia, polycystic ovarian syndrome, acne, hirsutism, seborrhea, androgenic alopecia and male baldness. They can be formulated together with pharmaceutically acceptable diluent or carrier or otherwise made into any pharmaceutical dosage form. Some of these compounds having tissue-specific antiandrogenic activity and tissue-specific androgenic activity can be used to treat or reduce the risk of developing diseases related to loss of androgenic stimulation. Combinations with other active pharmaceutical agents are also disclosed.