147126-75-8

Basic information

• Product Name: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
• Synonyms: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;5-(4-amino-5-fluoro-2-oxo-1(2h)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester;(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (FCME);(2S,5R)-5-Fluoro cytosine-1-yl-[1,3]-oxathiolane-2-carboxylic acid menthyl ester;(1''R,2''S,5''R)-MENTHYL-(2R-5R)-(4-AMINO-2-OXO-2H-5-FLUORO-PYRIMIDIN-1-YL)-[1,3]OXATHIOLANE;(1R,2S,5R)-MENTHYL-5(S)-FLUOROCYTOSINE-1-YL-[1,3]-OXATHIOLANE-2R-CARBOXYLATE;EMtricitabine InterMediate- FCME;[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-AMino-5-fluoro-2-oxo-1(2H)-
• CAS NO: 147126-75-8
• Molecular Formula: C18H26FN3O4S
• Molecular Weight: 399.4801432
• EINECS: 1312995-182-4
• Product Categories: (intermediate of emtricitabine)
• Mol File: 147126-75-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 519.181 °C at 760 mmHg
• Flash Point: 267.791 °C
• Appearance: /
• Density: 1.47
• Refractive Index: 1.645
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 2.40±0.10(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester(147126-75-8)
• EPA Substance Registry System: [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester(147126-75-8)

Safety Data

• Hazardous Substances Data: 147126-75-8(Hazardous Substances Data)

Usage

Description

[1R-[1(2S,5R),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester, also known as Emtricitabine Menthyl Ester, is an impurity of Emtricitabine (E525000). Emtricitabine is a reverse transcriptase inhibitor and a potent antiviral agent against HIV, HBV, and other viruses that replicate in a similar manner. It is a nucleoside analog structurally related to Lamivudine (L172500).

Uses

Used in Pharmaceutical Industry:
Emtricitabine Menthyl Ester is used as an impurity in the production of Emtricitabine, which serves as a reverse transcriptase inhibitor for the treatment of HIV, HBV, and other similar viruses. Its role in the pharmaceutical industry is crucial for the development and manufacturing of effective antiviral medications.
Used in Antiviral Research:
As an impurity of Emtricitabine, Emtricitabine Menthyl Ester may also be utilized in antiviral research to better understand the mechanisms of action, resistance development, and potential improvements in the design of future antiviral agents.
Used in Quality Control and Regulatory Compliance:
Emtricitabine Menthyl Ester is essential in the quality control process of Emtricitabine production, ensuring that the final product meets the required safety and efficacy standards. It is also used in regulatory compliance to monitor and control the presence of impurities in the final drug product.

InChI:InChI=1/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)