1034301-08-0

Basic information

• Product Name: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine
• Synonyms: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine;4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one;3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine;3',5'-Bis-O-(4-chlorobenzoyl)-2-deoxy-5-azacytosine 4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-beta-D-ribofuranosyl]-1,3,5-triazin-2(1H)-one;(2R,3S,5R)-5-(4-Amino-2-oxo-1,3,5-triazin-1(2H)-yl)-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate
• CAS NO: 1034301-08-0
• Molecular Formula: C₂₂H₁₈Cl₂N₄O₆
• Molecular Weight: 505.31
• EINECS: 2017-001-1
• Mol File: 1034301-08-0.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 642.6 °C at 760 mmHg
• Flash Point: 342.4 °C
• Appearance: /
• Density: 1.58
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Very Slightly, Heated), DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 3.38±0.20(Predicted)
• CAS DataBase Reference: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine(CAS DataBase Reference)
• NIST Chemistry Reference: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine(1034301-08-0)
• EPA Substance Registry System: 3',5'-di-o-p-chlorobenzoyl-2-deoxy-5-azacytosine(1034301-08-0)

Safety Data

• Hazardous Substances Data: 1034301-08-0(Hazardous Substances Data)

Usage

Uses

4-Amino-1-[3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentofuranosyl]-1,3,5-triazin-2(1H)-one (Decitabine USP Related Compound B) is a derivative of β-Decitabine (A796950) which is used as cancer treatment, in particular to inhibit the growth of pancreatic endocrine tumor cell lines.

Upstream product

• 52523-35-0 2-(trimethylsilylamino)-4-(trimethylsilyloxy)-s-triazine 
• 533-67-5 2-Deoxy-D-ribose 
• 3601-90-9 5-chloro-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate 
• 21740-23-8 3,5-O-bis(4-chlorobenzoyl)-2-deoxy-α-D-ribofuranosyl chloride 

Downstream Products

• 2353-33-5 5-aza-2'-deoxycytidine 

Relevant articles and documents

Method for synthesizing decitabine intermediate

The invention relates to a method for synthesizing a decitabine intermediate, in particular to a method for synthesizing the decitabine intermediate with a structure shown in a formula 2. According tothe method, the purity of the intermediate can be greatly improved, so that the purification operation of decitabine is reduced, a transition state intermediate compound is successfully separated forthe first time, and the total yield of decitabine is increased by three times.

Preparation method of beta-nucleoside compound

The invention provides a method for preparing beta-nucleoside or analogue thereof, comprising the following steps: 1) enabling nitrogenous base or analogue thereof to generate silylanizing reaction under the existence of trimethylsilyl trifluoromethanesulfonate (TMSOTf), to obtain the nitrogenous base or analogue thereof protected by trimethylsilyl; 2) enabling a reaction liquid to directly perform glycosylation reaction with quintuple cyclose or hexahydric cyclose sealed by a hydroxy protection group, so as to obtain a sealed beta-nucleoside or analogue thereof; 3) performing protection groupremoval reaction, to obtain the beta-nucleoside or analogue thereof. The method disclosed by the invention is simple in operation, energy-saving and environment-friendly, a key intermediate of the beta-nucleoside or analogue thereof is prepared by a one-pot methoid, and the yield of beta configuration substance is remarkably increased, and the preparation method is suitable for industrial application.

PROCESSES FOR PRODUCING DECITABINE

New processes for producing decitabine are provided.