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Ac-CoA Synthase Inhibitor 1

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Category Respiratory syncytial Virus (RSV)
CAS 508186-14-9
Description Ac-CoA Synthase Inhibitor 1 is an anti-virus agent.
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Product Information

Synonyms 1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
IUPAC Name 1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(2-methoxyethyl)urea
Molecular Weight 410.51
Molecular Formula C20H18N4O2S2
Canonical SMILES COCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4
InChI InChI=1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)
InChIKey CTPVNWVUAGMHEJ-UHFFFAOYSA-N
Boiling Point 539.3±50.0 °C at 760 mmHg
Flash Point 280.0±30.1 °C
Purity ≥95%
Density 1.4±0.1 g/cm3
Solubility In Vitro:
DMSO : 31.25mg/mL(76.12 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline
Solubility: ≥ 2.08 mg/mL (5.07 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: ≥ 2.08 mg/mL (5.07 mM); Clear solution
3.Add each solvent one by one:10% DMSO >> 90% corn oil
Solubility: ≥ 2.5 mg/mL (6.09 mM); Clear solution
Appearance Lyophilized Powder
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 526
Exact Mass 410.087128
Index Of Refraction 1.691
In Vitro Ac-CoA Synthase Inhibitor1 inhibits cellular [14C]acetate uptake into both lipids and histones with an IC50 of 5 µM. Ac-CoA Synthase Inhibitor1 inhibits the ability of HepG2 cells to incorporate [14C]acetate into lipids with IC50 of 6.8 µM. Ac-CoA Synthase Inhibitor1 inhibits HepG2 utilization of [14C]acetate for histone acetylation with IC50 of 5.5 µM.
Target RSV
Vapor Pressure 0.0±1.4 mmHg at 25°C
XLogP3-AA 2.8

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