128211-52-9

Basic information

• Product Name: Carbamic acid, [(1S)-1-acetyl-2-methylpropyl]-, 1,1-dimethylethyl ester
• CAS NO: 128211-52-9
• Molecular Formula: C11H21NO3
• Molecular Weight: 215.293
• Mol File: 128211-52-9.mol
• Article Data: 5

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [(1S)-1-acetyl-2-methylpropyl]-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(1S)-1-acetyl-2-methylpropyl]-, 1,1-dimethylethyl ester(128211-52-9)
• EPA Substance Registry System: Carbamic acid, [(1S)-1-acetyl-2-methylpropyl]-, 1,1-dimethylethyl ester(128211-52-9)

Safety Data

• Hazardous Substances Data: 128211-52-9(Hazardous Substances Data)

Upstream product

• 13734-41-3 t-Boc-L-valine 
• 75-16-1 methylmagnesium bromide 
• 58561-04-9 N-tert-butoxycarbonyl-L-valine methyl ester 

Downstream Products

• 1277097-39-8 tert-butyl (S)-4-methyl-2-oxopentan-3-ylcarbamate 
• 70717-76-9 (R)-(1-carbamoyl-2-methyl-propyl)-carbamicacidtert-butyl ester 
• 35150-08-4 Boc-Val-NH₂ 
• 265996-24-5 (4S)-5-ethenyl-4-(2-propyl)-5-methyloxazolidin-2-one 

Relevant articles and documents

Synthesis of β-Amino Alcohols Derived from L-Valine

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Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration

Isocitrate dehydrogenase 1 (IDH1), which catalyzes the conversion of isocitrate to α-ketoglutarate, is one of key enzymes in the tricarboxylic acid cycle (TCA). Hotspot mutation at Arg132 in IDH1 that alters the function of IDH1 by further converting the α-ketoglutarate(α-KG) to 2-hydroxyglutarate (2-HG) have been identified in a variety of cancers. Because the IDH1 mutations occur in a significant portion of gliomas and glioblastomas, it is important that IDH1 inhibitors have to be brain penetrant to treat IDH1-mutant brain tumors. Here we report the efforts to design and synthesize a novel serial of mutant IDH1 inhibitors with improved activity and the blood-brain barrier (BBB) penetration. We show that compound 5 exhibits good brain exposure and potent 2-HG inhibition in a HT1080-derived mouse xenograft model, which makes it a potential preclinical candidate to treat IDH1-mutant brain tumors.

Enantioselective synthesis of 3,6-dihydro-1H-pyridin-2-ones: Unexpected regioselectivity in the palladium-catalyzed decarboxylative carbonylation of 5-vinyloxazolidin-2-ones [1]

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