51392-54-2

Basic information

• Product Name: Benzene, 1-[(methylthio)methyl]-3-nitro-
• CAS NO: 51392-54-2
• Molecular Formula: C8H9NO2S
• Molecular Weight: 183.231
• Mol File: 51392-54-2.mol
• Article Data: 17

Chemical Properties

• CAS DataBase Reference: Benzene, 1-[(methylthio)methyl]-3-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-[(methylthio)methyl]-3-nitro-(51392-54-2)
• EPA Substance Registry System: Benzene, 1-[(methylthio)methyl]-3-nitro-(51392-54-2)

Safety Data

• Hazardous Substances Data: 51392-54-2(Hazardous Substances Data)

Upstream product

• 77472-39-0 (3-nitrophenyl)methanethiol 
• 74-88-4 methyl iodide 
• 619-23-8 3-Nitrobenzyl chloride 
• 5188-07-8 sodium thiomethoxide 
• 3958-57-4 1-bromomethyl-3-nitrobenzene 
• 66907-51-5 3-nitrobenzyl thiocyanate 

Downstream Products

• 261924-46-3 1-(methylsulfonylmethyl)-3-nitrobenzene 
• 1415249-81-8 4-(4-fluoro-2-methoxyphenyl)-N-{3-[(methylsulfanyl)methyl]phenyl}-1,3,5-triazin-2-amine 
• 1415249-80-7 4-chloro-N-{3-[(methylsulfanyl)methyl]phenyl}-1,3,5-triazin-2-amine 
• 1403987-64-3 4-(4-fluoro-2-methoxyphenyl)-N-{3-[(methylsulfonyl)methyl]-phenyl}-1,3,5-triazin-2-amine 

Relevant articles and documents

Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer

Selective inhibition of exclusively transcription-regulating positive transcription elongation factor b/CDK9 is a promising new approach in cancer therapy. Starting from atuveciclib, the first selective CDK9 inhibitor to enter clinical development, lead optimization efforts aimed at identifying intravenously (iv) applicable CDK9 inhibitors with an improved therapeutic index led to the discovery of the highly potent and selective clinical candidate VIP152. The evaluation of various scaffold hops was instrumental in the identification of VIP152, which is characterized by the underexplored benzyl sulfoximine group. VIP152 exhibited the best preclinical overall profile in vitro and in vivo, including high efficacy and good tolerability in xenograft models in mice and rats upon once weekly iv administration. VIP152 has entered clinical trials for the treatment of cancer with promising longterm, durable monotherapy activity in double-hit diffuse large B-cell lymphoma patients.

Identification of Atuveciclib (BAY 1143572), the First Highly Selective, Clinical PTEFb/CDK9 Inhibitor for the Treatment of Cancer

Selective inhibition of exclusively transcription-regulating PTEFb/CDK9 is a promising new approach in cancer therapy. Starting from lead compound BAY-958, lead optimization efforts strictly focusing on kinase selectivity, physicochemical and DMPK properties finally led to the identification of the orally available clinical candidate atuveciclib (BAY 1143572). Structurally characterized by an unusual benzyl sulfoximine group, BAY 1143572 exhibited the best overall profile in vitro and in vivo, including high efficacy and good tolerability in xenograft models in mice and rats. BAY 1143572 is the first potent and highly selective PTEFb/CDK9 inhibitor to enter clinical trials for the treatment of cancer.

FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP

The present invention relates to fluorinated benzofuranyl-pyrimidine derivatives containing a sulfoximine group of general formula (I) as described and defined herein, and methods for their preparation, their use for the treatment and/or prophylaxis of di