sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-

L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-

CAS No.:
1025967-78-5
Catalog Number:
AG0007UU
Molecular Formula:
C29H24Cl2N2O7S
Molecular Weight:
615.4811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$91
- +
10mg
≥98%
1 week
United States
$123
- +
25mg
≥98%
1 week
United States
$214
- +
50mg
99%
1 week
United States
$335
- +
100mg
99%
1 week
United States
$515
- +
Product Description
Catalog Number:
AG0007UU
Chemical Name:
L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-
CAS Number:
1025967-78-5
Molecular Formula:
C29H24Cl2N2O7S
Molecular Weight:
615.4811
MDL Number:
MFCD28502439
IUPAC Name:
(2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid
InChI:
InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1
InChI Key:
JFOZKMSJYSPYLN-QHCPKHFHSA-N
SMILES:
OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C
UNII:
038E5L962W
Properties
Complexity:
1100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
614.068g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
615.478g/mol
Monoisotopic Mass:
614.068g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Lifitegrast for the Treatment of Dry Eye Disease: Results of a Phase III, Randomized, Double-Masked, Placebo-Controlled Trial (OPUS-3). Ophthalmology 20170101
Lifitegrast: First LFA-1/ICAM-1 antagonist for treatment of dry eye disease. Drugs of today (Barcelona, Spain : 1998) 20160901
Lifitegrast: A novel drug for treatment of dry eye disease. Journal of pharmacology & pharmacotherapeutics 20160101
Lifitegrast Ophthalmic Solution 5.0% versus Placebo for Treatment of Dry Eye Disease: Results of the Randomized Phase III OPUS-2 Study. Ophthalmology 20151201
Lifitegrast ophthalmic solution 5.0% for treatment of dry eye disease: results of the OPUS-1 phase 3 study. Ophthalmology 20140201
Integrin modulators: a patent review. Expert opinion on therapeutic patents 20131001
Safety, tolerability, and bioavailability of topical SAR 1118, a novel antagonist of lymphocyte function-associated antigen-1: a phase 1b study. Eye (London, England) 20120701
Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye. ACS medicinal chemistry letters 20120308
Liver X receptors as regulators of macrophage inflammatory and metabolic pathways. Biochimica et biophysica acta 20110801
The pharmacologic assessment of a novel lymphocyte function-associated antigen-1 antagonist (SAR 1118) for the treatment of keratoconjunctivitis sicca in dogs. Investigative ophthalmology & visual science 20110516
Safety and pharmacokinetics of a novel lymphocyte function-associated antigen-1 antagonist ophthalmic solution (SAR 1118) in healthy adults. Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics 20110201
Tear cytokine profiles in dysfunctional tear syndrome. American journal of ophthalmology 20090201
LFA-1 as a key regulator of immune function: approaches toward the development of LFA-1-based therapeutics. Current pharmaceutical design 20060101
Properties