CAS 764659-72-5

(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate

Description:

The chemical substance with the name "(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate" and CAS number "764659-72-5" is a complex organic compound characterized by its specific stereochemistry and functional groups. It features a cyclohexyl ring substituted with a methyl and isopropyl group, indicating a branched structure that may influence its physical properties and biological activity. The presence of an oxathiolane ring suggests potential reactivity and interactions typical of heterocyclic compounds. Additionally, the inclusion of a pyrimidine derivative with an amino and fluoro substituent indicates potential pharmacological relevance, possibly in the context of medicinal chemistry. The carboxylate group may enhance solubility and reactivity, making it suitable for various applications, including drug development. Overall, this compound's unique structural features contribute to its potential utility in biochemical research or therapeutic contexts.

Formula: C₁₈H₂₆FN₃O₄S

InChI: InChI=1S/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)/t10-,11+,13-,14+,17-/m1/s1

InChI key: InChIKey=AUTCQXVTOIJYOT-KKVJTYSWSA-N

SMILES: O=C1N([C@H]2O[C@@H](C(O[C@H]3[C@H](C(C)C)CC[C@@H](C)C3)=O)SC2)C=C(F)C(N)=N1

Synonyms:

• (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl (2R,5S)-5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylate
• (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1,2-dihydro-1-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl ester
• 1,3-Oxathiolane-2-carboxylic acid, 5-(4-amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)-
• emtricitabine intermediate FCME
• (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester

(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

CAS: 764659-72-5

Formula: C₁₈H₂₆FN₃O₄S

Purity: 95%

Color and Shape: Solid

Molecular weight: 399.4801

Ref: IN-DA0039WO

Emtricitabine Impurity 14

CAS: 764659-72-5

Formula: C₁₈H₂₆FN₃O₄S

Color and Shape: Off-White Solid

Molecular weight: 399.48

Ref: 4Z-E-5835

(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

CAS: 764659-72-5

(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolane-2-carboxylate

Purity: 98%

Molecular weight: 399.48g/mol

Ref: 54-PC110224

Emtricitabine L-Menthyl Ester ((2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl Ester)

Controlled Product

CAS: 764659-72-5

Formula: C₁₈H₂₆FN₃O₄S

Color and Shape: Neat

Molecular weight: 399.48

Ref: 86-MM1325.01

Emtricitabine Menthyl Ester

Controlled Product

CAS: 764659-72-5

Impurity Emtricitabine Impurity 14
Applications An intermediate in the synthesis of Emtricitabine (E525000). A reverse transcriptase inhibitor. It is an effective antiviral agent against HIV, HBV, and other viruses replicating in a similar manner. A nucleoside analog structurally related to Lamivudine (L172500). Emtricitabine Impurity 14.
References Schinazi, R.F., et al.: Antimicrob. Ag. Chemother., 36, 2423 (1992), Shockeor, J.P., et al.: Xenobioica, 26, 189 (1996), Feng, J.Y., et al.: FASEB J., 13, 1511 (1999), Molina, J.-M., et al.: J. Infec. Dis., 182, 599 (2000)

Formula: C₁₈H₂₆FN₃O₄S

Color and Shape: Neat

Molecular weight: 399.48

Ref: TR-A609705

(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohex yl ester

CAS: 764659-72-5

Please enquire for more information about (2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohex yl ester including the price, delivery time and more detailed product information at the technical inquiry form on this page

Formula: C₁₈H₂₆FN₃O₄S

Purity: 95%Min

Molecular weight: 399.48 g/mol

Ref: 3D-FA103902

Emtricitabine Menthyl Ester Impurity

CAS: 764659-72-5

Formula: C₁₈H₂₆FN₃O₄S

Molecular weight: 399.5

Ref: ST-EA-CP-E5018