441785-25-7

Basic information

• Product Name: PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI)
• Synonyms: PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI);PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]-;(1-((2-Amino-9H-purin-9-yl)methyl)cyclopropoxy)methylphosphonic acid;P-[[[1-[(2-amino-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-Phosphonic acid;[[[1-[(2-Amino-9H-purin-9-yl)methyl]cyclopropyl]oxy]methyl]phosphonic acid;Besifovir;[1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
• CAS NO: 441785-25-7
• Molecular Formula: C₁₀H₁₄N₅O₄P
• Molecular Weight: 299.223021
• Mol File: 441785-25-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 668.4°C at 760 mmHg
• Flash Point: 358°C
• Appearance: /
• Density: 1.94g/cm³
• Vapor Pressure: 8.89E-19mmHg at 25°C
• Refractive Index: 1.825
• PKA: 2.44±0.10(Predicted)
• CAS DataBase Reference: PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI)(441785-25-7)
• EPA Substance Registry System: PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL]- (9CI)(441785-25-7)

Safety Data

• Hazardous Substances Data: 441785-25-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL](9CI) is used as a potential therapeutic agent for targeting specific biological pathways due to its unique structure incorporating the purine moiety, which is integral to DNA and RNA. Its potential interactions with enzymes and other biomolecules make it a candidate for the development of new drugs, particularly those aimed at modulating nucleic acid-related processes.
Used in Biochemical Research:
In the field of biochemical research, PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL](9CI) serves as a valuable tool for studying enzyme mechanisms and the role of purine-based molecules in biological systems. Its ability to interact with enzymes may provide insights into the development of enzyme inhibitors or activators, contributing to a better understanding of disease mechanisms and the design of targeted therapies.
Used in Chemical Synthesis:
PHOSPHONIC ACID, [[[1-[(2-AMINO-9H-PURIN-9-YL)METHYL]CYCLOPROPYL]OXY]METHYL](9CI) can be utilized as a building block or intermediate in the synthesis of more complex molecules with potential applications in various industries. Its unique structure allows for the creation of novel compounds with tailored properties, such as improved stability or enhanced biological activity.

InChI:InChI=1/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)

Upstream product

• 441784-84-5 diisopropyl {[1-({[tert-butyl(diphenyl)silyl]oxy}methyl)cyclopropyl]oxy}methylphosphonate 
• 441784-88-9 diisopropyl ({1-[(2-amino-6-chloro-9H-purin-9-yl)methyl]cyclopropyl}oxy)methylphosphonate 
• 441784-86-7 {1-[(diisopropylphosphoryl)methoxy]cyclopropyl}methyl methanesulfonate 
• 441784-85-6 diisopropyl {[1-(hydroxymethyl)cyclopropyl]oxy}methylphosphonate 
• 693788-86-2 diisopropyl ({1-[(2-amino-9H-purin-9-yl)methyl]cyclopropyl}oxy)methylphosphonate 

Downstream Products

• 441785-26-8 LB-80380 

Relevant articles and documents

Method for preparing Besifovir

The invention relates to a method for preparing P-[[[1-[(2-amino-9H-purine-9-yl) methyl] cyclopropyl] oxy] methyl]-phosphoric acid (Besifovir). The method comprises the following steps: 1) enabling acompound of formula (1) as shown in the specification to react with tertiary butyl diphenylchlorosilane so as to prepare a compound of formula (2) as shown in the specification; 2) enabling the compound of formula (2) to react with ethyl magnesium bromide so as to prepare a compound of formula (3) as shown in the specification; 3) enabling the compound of the formula (3) to react with p-toluenesulfonyl oxymethyldiethoxyphosphine under a condition that tertiary butanol lithium is adopted as an alkali so as to prepare a compound of formula (23) as shown in the specification; 4) carrying out ammonium fluoride hydrolysis on the compound of formula (23) so as to prepare a compound of formula (24) as shown in the specification; 5) enabling the compound of formula (24) to react with a compound offormula (28) as shown in the specification so as to prepare a compound as a solid of formula (22) as shown in the specification; 6) carrying out reduction dechloridation on the compound of formula (22) as shown in the specification under a condition of a catalyst and a hydrogen supplier so as to prepare a compound as a solid of formula (25) as shown in the specification; 7) carrying out trimethylbromide silane hydrolysis on the compound of formula (25), so as to obtain Besifovir as shown in the specification. The method is cheap in raw material and intermediate material, easy in raw materialand intermediate material obtaining, low in cost, high in yield, gentle in condition and good in security.

Intermediate compound of medicine LB80380 and preparing method and application thereof

The invention provides an LB80380 intermediate compound (as shown in formula I in the specification). In the LB80380 intermediate compound, R1, R2, R3 and R4 are chosen from linear chain or branched chain alkyl group, benzyl group which is replaced by one or five R5, or R5CO independently, wherein the R1, the R1, the R3 and the R4 are identical or different; R5 is chosen from hydrogen, C1-C4 alkoxy which is replaced or not replaced, C3-C7 alkenyl alkoxy, or benzyloxy- which is replaced or not replaced. The invention also provides a preparing method and an application of the compound in the formula I. When the compound in formula I is used for preparing a compound (specific chemical formula is in the specification), reaction route raw materials and intermediate materials are low in price and easy to get, cost is low, safety is good, and thus the LB80380 intermediate compound in formula I is applicable to industrial production.

NUCLEOSIDE PHOSPHONATE DERIVATIVES USEFUL IN THE TREATMENT OF HIV INFECTIONS

The present invention relates to a method of treating HIV infections by administering a nucleoside phosphonate derivative represented by formula (I).

A novel class of phosphonate nucleosides. 9-[(1-phosphonomethoxycyclopropyl)methyl]guanine as a potent and selective anti-HBV agent

9-[1-(Phosphonomethoxycyclopropyl)methyl]guanine (PMCG, 1), representative of a novel class of phosphonate nucleosides, blocks HBV replication with excellent potency (EC50 = 0.5 μM) in a primary culture of HepG2 2.2.15 cells. It exhibits no sig