222714-37-6

Basic information

• Product Name: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester
• Synonyms: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester;4-[(1S)-1-Aminoethyl]benzoic acid methyl ester;(S)-4-(1-AMino-ethyl)-benzoic acid Methyl ester;Methyl 4-[(1S)-1-aMinoethyl]benzoate;(1S)-1-[4-(Methoxycarbonyl)phenyl]ethylamine, (S)-4-(Methoxycarbonyl)-alpha-methylbenzylamine;Methyl 4-((S)-1-aminoethyl)benzoate
• CAS NO: 222714-37-6
• Molecular Formula: C₁₀H₁₃NO₂
• Molecular Weight: 179.22
• Mol File: 222714-37-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 281.5 °C at 760 mmHg
• Flash Point: 140.5 °C
• Appearance: /
• Density: 1.089 g/cm³
• Vapor Pressure: 0.00354mmHg at 25°C
• Refractive Index: 1.533
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8?+-.0.10(Predicted)
• CAS DataBase Reference: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester(222714-37-6)
• EPA Substance Registry System: Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester(222714-37-6)

Safety Data

• Hazardous Substances Data: 222714-37-6(Hazardous Substances Data)

Usage

Physical Form

White to Yellow Solid

Uses

Methyl 4-[(1S)-1-Aminoethyl] benzoate is a reactant used in the preparation of prostanoid EP4 receptor antagonist which may be used in the treatment of osteoporosis, neurological disorders and cardiovascular diseases.

InChI:InChI=1/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1

Upstream product

• 1220904-65-3 methyl (S)-4-(((tert-butylsulfinyl)imino)methyl)benzoate 
• 1571-08-0 methyl 4-formylbenzoate 
• 847728-90-9 (S)-methyl 4-(1-((tert-butoxycarbonyl)amino)ethyl)benzoate 
• 67-56-1 methanol 
• 916211-64-8 (S)-4-(1-aminoethyl)benzoic acid hydrochloride salt 
• 222714-33-2 4-[(1S)-1-aminoethyl]benzoic acid 

Downstream Products

• 960240-23-7 tert-butyl 7-[({(1S)-1-[4-(methoxycarbonyl)phenyl]ethyl}amino)carbonyl]indoline-1-carboxylate 

Relevant articles and documents

Synthesis and in Vitro and in Vivo Biological Evaluation of Tissue-Specific Bisthiazole Histone Deacetylase (HDAC) Inhibitors

A series of bisthiazole-based hydroxamic acids as novel potent HDAC inhibitors was developed during our previous work. In the present work, a new series of highly potent bisthiazole-based compounds were designed and synthesized. Among the prepared compounds, compound H13, which contains an α-(S)-methyl-substituted benzyl group, displays potent inhibitory activity toward human HDACs and several cancer cells lines. Compound H13 has a favorable PK profile and high tissue distribution specificity in the colon, as well as good efficacy in the AOM-DSS mouse model for colitis-associated colonic tumorigenesis.

A novel series of potent and selective EP4 receptor ligands: Facile modulation of agonism and antagonism

A novel series of EP4 ligands, based on a benzyl indoline scaffold, has been discovered. It was found that agonism and antagonism in this series can be easily modulated by minor modifications on the benzyl group. The pharmacokinetic, metabolic

HETEROBICYCLIC METALLOPROTEASE INHIBITORS

The present invention relates generally to heterobicyclic containing pharmaceutical agents, and in particular, to heterobicyclic metalloprotease inhibitor compounds. More particularly, the present invention provides a new class of heterobicyclic metalloprotease inhibiting compounds that exhibit an increased potency in relation to currently known metalloprotease inhibitors.