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Antiviral API
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- Antiviral intermediates
1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic Acid
Category | Human immunodeficiency Virus (HIV) |
CAS | 1335210-23-5 |
Description | 1-(2,2-Dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic Acid (CAS# 1335210-23-5) is used as an intermediate in the synthesis of GSK1265744 (I), a potent HIV integrase inhibitor. |
Product Information
Synonyms | 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxo-3-pyridinecarboxylic acid; 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid |
IUPAC Name | 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid |
Molecular Weight | 315.28 |
Molecular Formula | C13H17NO8 |
Canonical SMILES | COC1=C(N(C=C(C1=O)C(=O)O)CC(OC)OC)C(=O)OC |
InChI | InChI=1S/C13H17NO8/c1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4/h5,8H,6H2,1-4H3,(H,16,17) |
InChIKey | XAXGEECGULRZGN-UHFFFAOYSA-N |
Boiling Point | 474.1±45.0 °C at 760 mmHg |
Flash Point | 240.5±28.7 °C |
Purity | ≥98% (HPLC) |
Density | 1.4±0.1 g/cm3 |
Solubility | In Vitro: DMSO : 100 mg/mL(317.18 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: 2.5 mg/mL (7.93 mM); Suspended solution; Need ultrasonic 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: ≥ 2.5 mg/mL (7.93 mM); Clear solution 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (7.93 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 |
Complexity | 532 |
Exact Mass | 315.09541650 |
Index Of Refraction | 1.536 |
PSA | 113.29000 |
Target | HIV-1 |
Vapor Pressure | 0.0±2.5 mmHg at 25°C |
XLogP3-AA | 0.7 |