Inarigivir

Category	Hepatitis B Virus (HBV)
CAS	475650-36-3
Description	Inarigivir is a dinucleotide prodrug with antiviral and immunomodulatory activity, which has the potential for the treatment of HBV infections.

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Product Information

Synonyms	ORI-9020; SB-9000
IUPAC Name	1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
Molecular Weight	587.50
Molecular Formula	C20H26N7O10PS
Canonical SMILES	COC1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O
InChI	InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1
InChIKey	LYMICVBGNUEHGE-FUQPUAIBSA-N
Purity	99.20%
Solubility	In Vitro: DMSO : 200 mg/mL(340.43 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:5% DMSO >> 40%PEG300 >> 5%Tween-80 >> 50% saline Solubility: ≥ 2.5 mg/mL (4.26 mM); Clear solution 2.Add each solvent one by one:5% DMSO >> 95% (20%SBE-β-CD in saline) Solubility: ≥ 2.5 mg/mL (4.26 mM); Clear solution 3.Add each solvent one by one:1% DMSO >> 99% saline Solubility: ≥ 0.25 mg/mL (0.43 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month
Animal Admin	For the first animal experiment, Inarigivir is prepared fresh daily at a dosage of 100 mg/kg of body weight /day, which is equal to 170 mol/kg/day, and is injected intraperitoneally (i.p.) using cremaphor-ethanol-saline (CES) (10:10:80) or physiological saline as vehicles. ADV, the positive control, is prepared using the CES vehicle. A dosage of 10 mg/kg/day (19.9 mol/kg/day) is used. In the second experiment to determine the minimal effective concentration, Inarigivir is prepared in sterile saline in onehalf-log dilutions from 50 to 0.05 mg/kg/day. The drug is delivered i.p. in a volume of 0.1 ml. Liver samples are analyzed for HBV DNA, HBV RNA, and HBcAg, and serum samples are processed for HBV DNA, HBeAg, and HBsAg.
Complexity	1010
Exact Mass	587.11994822
In Vivo	Injection of Inarigivir at 100 mg/kg/day significantly reduces viral DNA in the liver and shows anti-HBV activity similar ADV positive control. Serum HBV DNA is not reduced in response to treatment. Inarigivir does not affect levels of HBV RNA in liver, levels of HBeAg in serum, or mean titers of HBsAg. The minimal effective dose is identified to be between 1.6 and 0.5 mg/kg/day using liver HBV DNA values.
Target	HBV
XLogP3-AA	-1.8