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1025967-78-5,MFCD28502439
Catalog No.:AA0007S2

1025967-78-5 | L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-

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1mg
97%
in stock  
$7.00   $5.00
- +
5mg
97%
in stock  
$11.00   $8.00
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10mg
97%
in stock  
$14.00   $10.00
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25mg
97%
in stock  
$23.00   $16.00
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50mg
97%
in stock  
$36.00   $25.00
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250mg
97%
in stock  
$100.00   $70.00
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1g
97%
in stock  
$266.00   $186.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0007S2
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
SMILES:
OC(=O)[C@@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C2)C(=O)c1ccc2c(c1)occ2)Cc1cccc(c1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
1100  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
4.7  

Downstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.203-206

[2]Patent:WO2014/18748,2014,A1

[3]Patent:WO2014/18748,2014,A1

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.203-206

[2]Patent:WO2014/18748,2014,A1

[3]Patent:WO2014/18748,2014,A1

[4]Patent:WO2019/186520,2019,A1

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.203-206

[2]Patent:WO2014/18748,2014,A1

[3]Patent:WO2014/18748,2014,A1

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.203-206

[2]Patent:WO2014/18748,2014,A1

[3]Patent:WO2014/18748,2014,A1

[1]ACSMedicinalChemistryLetters,2012,vol.3,p.203-206

[2]Patent:WO2014/18748,2014,A1

[3]Patent:WO2014/18748,2014,A1

Literature

Title: Lifitegrast for the Treatment of Dry Eye Disease: Results of a Phase III, Randomized, Double-Masked, Placebo-Controlled Trial (OPUS-3).

Journal: Ophthalmology 20170101

Title: Lifitegrast: First LFA-1/ICAM-1 antagonist for treatment of dry eye disease.

Journal: Drugs of today (Barcelona, Spain : 1998) 20160901

Title: Lifitegrast: A novel drug for treatment of dry eye disease.

Journal: Journal of pharmacology & pharmacotherapeutics 20160101

Title: Lifitegrast Ophthalmic Solution 5.0% versus Placebo for Treatment of Dry Eye Disease: Results of the Randomized Phase III OPUS-2 Study.

Journal: Ophthalmology 20151201

Title: Lifitegrast ophthalmic solution 5.0% for treatment of dry eye disease: results of the OPUS-1 phase 3 study.

Journal: Ophthalmology 20140201

Title: Integrin modulators: a patent review.

Journal: Expert opinion on therapeutic patents 20131001

Title: Safety, tolerability, and bioavailability of topical SAR 1118, a novel antagonist of lymphocyte function-associated antigen-1: a phase 1b study.

Journal: Eye (London, England) 20120701

Title: Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye.

Journal: ACS medicinal chemistry letters 20120308

Title: Liver X receptors as regulators of macrophage inflammatory and metabolic pathways.

Journal: Biochimica et biophysica acta 20110801

Title: The pharmacologic assessment of a novel lymphocyte function-associated antigen-1 antagonist (SAR 1118) for the treatment of keratoconjunctivitis sicca in dogs.

Journal: Investigative ophthalmology & visual science 20110516

Title: Safety and pharmacokinetics of a novel lymphocyte function-associated antigen-1 antagonist ophthalmic solution (SAR 1118) in healthy adults.

Journal: Journal of ocular pharmacology and therapeutics : the official journal of the Association for Ocular Pharmacology and Therapeutics 20110201

Title: Tear cytokine profiles in dysfunctional tear syndrome.

Journal: American journal of ophthalmology 20090201

Title: LFA-1 as a key regulator of immune function: approaches toward the development of LFA-1-based therapeutics.

Journal: Current pharmaceutical design 20060101

Title: Perez VL, et al. Lifitegrast, a Novel Integrin Antagonist for Treatment of Dry Eye Disease. Ocul Surf. 2016 Apr;14(2):207-15.

Title: Sun Y, et al. Corneal inflammation is inhibited by the LFA-1 antagonist, lifitegrast (SAR 1118). J Ocul Pharmacol Ther. 2013 May;29(4):395-402.

Title: Rao VR, et al. Delivery of SAR 1118 to the retina via ophthalmic drops and its effectiveness in a rat streptozotocin(STZ) model of diabetic retinopathy (DR). Invest Ophthalmol Vis Sci. 2010 Oct;51(10):5198-204.

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Tags:1025967-78-5 Molecular Formula|1025967-78-5 MDL|1025967-78-5 SMILES|1025967-78-5 L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-