1456803-29-4

Basic information

• Product Name: Isopropyl 2-(tert-butoxycarbonyl)-3-(methylsulfonyloxy)propanoate
• Synonyms: Isopropyl 2-(tert-butoxycarbonyl)-3-(methylsulfonyloxy)propanoate;(S)-ISOPROPYL 2-BOC-AMINO-3-(METHYLSULFONYLOXY)PROPANOATE
• CAS NO: 1456803-29-4
• Molecular Formula: C12H22O7S
• Molecular Weight: 310.36388
• Mol File: 1456803-29-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 474.9±40.0 °C(Predicted)
• Appearance: /
• Density: 1.202±0.06 g/cm3(Predicted)
• PKA: 10.38±0.46(Predicted)
• CAS DataBase Reference: Isopropyl 2-(tert-butoxycarbonyl)-3-(methylsulfonyloxy)propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: Isopropyl 2-(tert-butoxycarbonyl)-3-(methylsulfonyloxy)propanoate(1456803-29-4)
• EPA Substance Registry System: Isopropyl 2-(tert-butoxycarbonyl)-3-(methylsulfonyloxy)propanoate(1456803-29-4)

Safety Data

• Hazardous Substances Data: 1456803-29-4(Hazardous Substances Data)

Upstream product

• 955379-18-7 N-tert-butoxycarbonylserine isopropyl ester 
• 124-63-0 methanesulfonyl chloride 

Downstream Products

• 1375541-78-8 syn-tert-butyl ((5S,6R)-6-methyl-2-oxo-5-phenylpiperidin-3-yl)carbamate 
• 1375471-12-7 tert-butyl ((3S,5S,6R)-6-methyl-2-oxo-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-3-yl)carbamate 

Relevant articles and documents

Calcitonin gene-related peptide (CGRP) receptor antagonist treatment of migraine

Migraine is ranked as the sixth cause of years lost due to disability, with around 1.04 billion migraine sufferers globally. Triptans are considered the standard for acute migraine treatment, but an important number of migraineurs do not respond to them and these drugs are contraindicated in patients with cardiovascular disease. Migraine therapy is currently undergoing tremendous development, i.e., 5-HT1F receptor agonists (ditans), anti-calcitonin gene-related peptide (CGRP) monoclonal antibodies, and small-molecule CGRP receptor antagonists (gepants). Ubrogepant (MK-1620) is a small-molecule, potent and selective CGRP receptor antagonist. In two phase III clinical trials (ACHIEVE I and II), ubrogepant showed, at 2 hours, significant percentages of pain freedom, and absence of the most bothersome symptoms in migraine patients. In a phase III study to assess the long-term (52-week) safety and tolerability, ubrogepant displayed good tolerability, and no signs of hepatic toxicity. In March 2019, the U.S. Food and Drug Administration accepted the new drug application (NDA) for ubrogepant for the acute treatment of migraine.

Process for Making CGRP Receptor Antagonists

The invention encompasses a novel process for making piperidinone carboxamide indane and azainane derivatives, which are CGRP receptor antagonists useful for the treatment of migraine.