603122-31-2

Basic information

• Product Name: Benzoic acid, 4-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy) carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]-, methyl ester
• CAS NO: 603122-31-2
• Molecular Formula: C31H34ClNO5
• Molecular Weight: 536.068
• Mol File: 603122-31-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy) carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy) carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]-, methyl ester(603122-31-2)
• EPA Substance Registry System: Benzoic acid, 4-[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy) carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]-, methyl ester(603122-31-2)

Safety Data

• Hazardous Substances Data: 603122-31-2(Hazardous Substances Data)

Upstream product

• 603125-59-3 (7S)-7-{(tert-butoxycarbonyl)[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl trifluoromethanesulfonate 
• 99768-12-4 4-methoxycarbonylphenylboronic acid 
• 132990-84-2 (2S)-N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine 
• 603122-70-9 (7S)-7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-ol 
• 24424-99-5 di-tert-butyl dicarbonate 
• 4133-34-0 7-methoxyl-2-tetralone 
• 85951-60-6 (-)-7-OH-AT 
• 121216-31-7 N-<(2S)-7-hydroxy-1,2,3,4-tetrahydronaphth-2-yl>-(2R)-2-(3-chlorphenyl)-2-hydroxyethanamine 
• 121489-29-0 tert-butyl [(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(2S)-7-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl]carbamate 
• 231623-74-8 N-(7-methoxy-3,4-dihydro-naphthalen-2-yl)-benzamide 
• 231623-76-0 N-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide 

Downstream Products

• 603122-10-7 4-((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)benzoic acid hydrochloride 

Relevant articles and documents

Discovery of a novel series of benzoic acid derivatives as potent and selective human β3 adrenergic receptor agonists with good oral bioavailability. 3. Phenylethanolaminotetraline (PEAT) skeleton containing biphenyl or biphenyl ether moiety

We designed a series of benzoic acid derivatives containing the biphenyl ether or biphenyl template on the RHS and a phenylethanolaminotetraline (PEAT) skeleton, which was prepared by highly stereoselective synthesis, to generate two structurally different lead compounds (10c, 10m) with a good balance of potency, selectivity, and pharmacokinetic profile. Further optimization of the two lead compounds to improve potency led to several potential candidates (i.e., 11f, 11l, 11o, 12b). In particular, biphenyl analogue 12b exhibited an excellent balance of high potency (EC50 = 0.38 nM) for β3, high selectivity over β1 and β2, and good pharmacokinetic properties in rats, dogs, and monkeys.