WARNING: This product is for research use only, not for human or veterinary use.
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). This product has not formal name. For the convenience of scientific communication, we named it by combining its Inchi key (3 letters from the first letter of each section) with the last 5 digit of its CAS#) according to MedKoo Chemical Nomenclature (https://www.medkoo.com/page/naming).
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
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO
Shelf Life: >3 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 590.9802 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
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
