Elsulfavirine is a reverse transcriptase inhibitor for HIV-1 infection and a new active molecule against HIV.

Physicochemical Properties

Molecular Formula	C24H17BRCL2FN3O5S
Molecular Weight	629.282285451889
Exact Mass	626.94
Elemental Analysis	C, 45.81; H, 2.72; Br, 12.70; Cl, 11.27; F, 3.02; N, 6.68; O, 12.71; S, 5.09
CAS #	868046-19-9
Related CAS #	868046-19-9;867365-40-0 (sodium);
PubChem CID	11527519
Appearance	White to off-white solid powder
LogP	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	37
Complexity	977
Defined Atom Stereocenter Count	0
InChi Key	ULTDEARCBRNRGR-UHFFFAOYSA-N
InChi Code	InChI=1S/C24H17BrCl2FN3O5S/c1-2-21(32)31-37(34,35)17-4-6-20(19(27)11-17)30-22(33)9-14-3-5-18(25)24(23(14)28)36-16-8-13(12-29)7-15(26)10-16/h3-8,10-11H,2,9H2,1H3,(H,30,33)(H,31,32)
Chemical Name	N-(4-{2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]acetamido}-3-chlorobenzenesulfonyl)propanamide
Synonyms	Elsulfavirine; Elpida.
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	HIV-1
References	[1]. Emerging reverse transcriptase inhibitors for HIV-1 infection. Expert Opin Emerg Drugs. 2018 Jun;23(2):149-157.
Additional Infomation	Elsulfavirine is under investigation in clinical trial NCT03706898 (Study to Evaluate the Safety and PK of Elpida® in Healthy Subjects and Patients With Hepatic Impairment and to Assess the Impact of Food Intake and Drug-Drug Interactions With Other Antiviral Drugs).

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~99.32 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.08 mg/mL (3.31 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (3.31 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: 10% DMSO+90% (20% SBE-β-CD in Saline): 2.08 mg/mL (3.31 mM)  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5891 mL	7.9456 mL	15.8912 mL
	5 mM	0.3178 mL	1.5891 mL	3.1782 mL
	10 mM	0.1589 mL	0.7946 mL	1.5891 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.