134790-40-2

Basic information

• Product Name: 4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone
• Synonyms: 1’-Epi Gemcitabine 3’,5’-Dibenzoate;4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone;4-AMino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-α-D-erythro-pentofuranosyl)- 2(1H)-pyriMidinone;Gemcitabine Impurity B(1'-Epi Gemcitabine 3',5'-Dibenzoate)
• CAS NO: 134790-40-2
• Molecular Formula: C₂₃H₁₉F₂N₃O₆
• Molecular Weight: 471.414
• Product Categories: Amines;Bases & Related Reagents;Heterocycles;Nucleotides;Amines, Heterocycles, Nucleotides, Bases & Related Reagents
• Mol File: 134790-40-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 125-160°C
• Boiling Point: 608.4±65.0 °C(Predicted)
• Appearance: /
• Density: 1.45±0.1 g/cm3(Predicted)
• Refractive Index: 1.625
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility: DMSO (Slightly), Methanol (Very Slightly, Sonicated)
• PKA: 4.26±0.10(Predicted)
• CAS DataBase Reference: 4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone(134790-40-2)
• EPA Substance Registry System: 4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone(134790-40-2)

Safety Data

• Hazardous Substances Data: 134790-40-2(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 134790-40-2 differently. You can refer to the following data:
1. An intermediate (a-anomer) of Gemcitabine; antitumor compound
2. An intermediate (α-anomer) of Gemcitabine; antitumor compound.

InChI:InChI=1/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)/t16-,18+,21-/m1/s1

Upstream product

• 71-30-7 Cytosine 
• 134877-42-2 2-deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-diphenylmethyl ester-1-methanesulfonate 
• 122111-01-7 2-deoxy-2,2-difluoro-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate 
• 1173824-58-2 (2R,3R)-2-((benzoyloxy)methyl)-4,4-difluoro-5-hydroxyoxolan-3-yl benzoate 
• 134877-42-2 3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-1-O-methanesulfonyl-D-erythro-pentofuranose 
• 18037-10-0 2,4-O,N-bis(trimethylsilyl)cytosine 

Relevant articles and documents

A miazines new compounds

The invention relates to a new pyrimidine compound. The experiment proves that the new compound disclosed in the specification can inhibit growth of tumor cells, and has favorable effectiveness and safety when being used for preparing antineoplastic drugs. The vessel irritation experiment proves that the new compound does not have hemolysis or irritation and can be prepared into an injection for clinical use.