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MedKoo CAT#: 555897
CAS#: 2253675-62-4 (S-isomer)
Description: DFN75624 is a dengue viral replication inhibitor. DFN75624 was first reported in patent WO 2018215315 (Janssen Pharmaceuticals). DFN75624 has CAS# 2253675-62-4, no formal name. For the convenience of scientific communication, we named it as DFN75624 (combined from Inchi key plus CAS#) according to Hodoodo Chemical Nomenclature (https://hodoodo.com/hodoodo-chemical-nomenclature).
MedKoo Cat#: 555897
Name: DFN75624
CAS#: 2253675-62-4 (S-isomer)
Chemical Formula: C29H26ClF3N2O6
Exact Mass: 590.1431
Molecular Weight: 590.9802
Elemental Analysis: C, 58.94; H, 4.43; Cl, 6.00; F, 9.64; N, 4.74; O, 16.24
Related CAS #: 2253675-60-2 (racemic) 2253675-61-3 (R-isomer) 2253675-62-4 (S-isomer)
Synonym: DFN75624; DFN-75624; DFN 75624;
IUPAC/Chemical Name: (1R,2R)-2-((3-(((S)-1-(4-chlorophenyl)-2-oxo-2-(6-(trifluoromethoxy)indolin-1-yl)ethyl)amino)-5-methoxyphenoxy)methyl)cyclopropane-1-carboxylic acid
InChi Key: DPLSNZRPHADTGY-FODJJAHYSA-N
InChi Code: InChI=1S/C29H26ClF3N2O6/c1-39-22-11-20(12-23(13-22)40-15-18-10-24(18)28(37)38)34-26(17-2-5-19(30)6-3-17)27(36)35-9-8-16-4-7-21(14-25(16)35)41-29(31,32)33/h2-7,11-14,18,24,26,34H,8-10,15H2,1H3,(H,37,38)/t18-,24+,26-/m0/s1
SMILES Code: O=C([C@@H](NC1=CC(OC[C@@H]2C[C@H]2C(O)=O)=CC(OC)=C1)C3=CC=C(Cl)C=C3)N4CCC5=CC=C(OC(F)(F)F)C=C54
Preparation of substituted indoline derivatives as dengue viral replication inhibitors
By: Bonfanti, Jean-Francois; Kesteleyn, Bart Rudolf Romanie; Bardiot, Dorothee Alice Marie-Eve; Marchand, Arnaud Didier M.; Coesemans, Erwin; Fortin, Jerome Michel Claude; Mercey, Guillaume Jean Maurice; Raboisson, Pierre Jean-Marie Bernard.
Assignee: Janssen Pharmaceuticals, Inc., USA; Katholieke Universiteit Leuven.
From: PCT Int. Appl., 2018215315, 29 Nov 2018