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| IUPAC Name: | 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid |
| 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. |
| 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) |
| InChI Key: | 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 |
| LogP: | -0.03940 |
| Vapor Pressure: | 0.0±2.5 mmHg at 25°C |
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1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
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