AG0007UU

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

AG0007UU

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

• mg
• g
• kg
• ml
• L

No data

• mg
• g
• kg
• ml
• L

No data

No data

Inquire

CAS Number	1025967-78-5
Catalog Number	AG0007UU(AGN-PC-0WALWS)
Chemical Name	L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-
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
MDL Number	MFCD28502439
Molecular Formula	C29H24Cl2N2O7S
Molecular Weight	615.4811
SMILES	O=C(O)[C@H](CC1=CC=CC(S(=O)(C)=O)=C1)NC(C2=C(Cl)C3=C(CN(C(C4=CC=C5C=COC5=C4)=O)CC3)C=C2Cl)=O
UNII	038E5L962W
Synonyms	(2S)-2-(((2-(benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6- yl)carbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid, L-phenylalanine, n-((2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-, lifitegrast, SAR 1118, SAR-1118, SHP-606, SHP606, Xiidra, Lifitegrast, Xiidra, 1025967-78-5, SAR-1118, SAR 1118, UNII-038E5L962W, CHEMBL2048028, SAR1118, 038E5L962W, (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid, (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid;(S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoic acid, L-Phenylalanine, N-((2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl)carbonyl)-3-(methylsulfonyl)-, Lifitegrast [USAN:INN], L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, Xiidra (TN), Lifitegrast (USAN/INN), Lifitegrast; SAR 1118, GTPL7533, SCHEMBL2632068, DTXSID60145345, CHEBI:133023, EX-A2582, BDBM50386331, MFCD28502439, ZINC84668739, AKOS030628489, CS-6264, DB11611, SB18920, compound 1g [PMID: 24900456], (2S)-2-(((2-(Benzofuran-6-ylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6- yl)carbonyl)amino)-3-(3-(methylsulfonyl)phenyl)propanoic acid, DS-20052, HY-19344, D10374, (2S)-2-[[2-(1-benzofuran-6-carbonyl)-5,7-dichloro3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(3-methylsulfonylphenyl)propanoic acid, N-[2-(1-benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carbonyl]-3-(methanesulfonyl)-L-phenylalanine, D04ISS, D0Q9EV, SHP606, SPD606, Umbelliferone-3-carboxylic acid, SAR-1119, CID11965427, CID 11965427, Dual LFA-1/ICAM-1 inhibitors, Sunesis, SAR 1118-023, SAR-1118-023, Dual LFA-1/ICAM-1 inhibitors (inflammatory diseases), SARcode, Dual leukocytefunction-associated antigen-1/intracellular adhesion molecule-1 inhibitors (inflammatory diseases), SARcode,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number