PC786

Category	Respiratory syncytial Virus (RSV)
CAS	1902114-15-1
Description	PC786 is an inhaled respiratory syncytial virus (RSV) L protein polymerase inhibitor. It exhibits potent antiviral activity against RSV-A and RSV-B.

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Product Information

Synonyms	N-(2-fluoro-6-methylphenyl)-6-[4-[[5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
Molecular Weight	715.83
Molecular Formula	C41H38FN5O4S
Canonical SMILES	CC1=C(C(=CC=C1)F)NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=C(N=CC(=C6)C)N7CC8(C7)CCOCC8
InChI	InChI=1S/C41H38FN5O4S/c1-25-20-31(37(43-22-25)46-23-41(24-46)15-18-51-19-16-41)38(48)44-29-12-10-27(11-13-29)40(50)47-17-14-28-21-34(52-36(28)30-7-3-4-9-33(30)47)39(49)45-35-26(2)6-5-8-32(35)42/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,48)(H,45,49)
InChIKey	VTCJNYICQADBJD-UHFFFAOYSA-N
Purity	99.70%
Solubility	In vitro: 10 mM in DMSO
Appearance	White to off-white (Solid)
Storage	-20°C, protect from light, stored under nitrogen * In solvent : -80°C 6 months; -20°C 1 month (protect from light, stored under nitrogen)
Complexity	1290
Exact Mass	715.26285405
In Vitro	PC786 demonstrates a potent and selective antiviral activity against laboratory-adapted or clinical isolates of RSV-A (IC50<0.09 to 0.71 nM) and RSV-B (IC50, 1.3 to 50.6 nM), which are determined by inhibition of cytopathic effects in HEp-2 cells without causing detectable cytotoxicity. PC786 inhibits RSV A2 activity, exhibiting an IC50 and IC90 of 0.50±0.0014 nM and 0.63±0.035 nM, respectively. PC786 inhibits RSV B WST activity, exhibiting an IC50 and IC90 of 27.3±0.77 nM and 57.1±3.87 nM, respectively. PC786 exhibits potent inhibition of cytopathic effect (CPE) induced by known RSV A clinical isolates (IC50, 0.14 to 3.2 nM). PC786 also exhibits potent inhibition of CPE induced by various low-passage-number clinical isolates of RSV A (IC50, 0.42 nM [median]) and RSV B (IC50, 17.5 nM [median]).
In Vivo	Once-daily treatment with PC786, on days-1 to 3, by either intratracheal (i.t.) or intranasal (i.n.) administration, is found to inhibit viral loads in the lungs of RSV A2-infected BALB/c mice. The viral load is below the level of detection when the drug is given at 2 mg/mL (40 μg/mouse [approximately 1.6 mg/kg of body weight] for i.t. treatment, or 80 μg/mouse [approximately 3.2 mg/kg] for i.n. treatment).
Target	RSV-A:0.09-0.71 nM (IC50) RSV-B:1.3-50.6 nM (IC50)
XLogP3-AA	6.8