DP-BAPTA-99, DP-b99, -Drug Synthesis Database

【结构式】

【药物名称】DP-BAPTA-99, DP-b99

【化学名称】N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine] 1,1'-bis[2-(octyloxy)ethyl] ester
　　　　　　2,2'-(Ethylenedioxy)bis(2,1-phenylene)bis[N-[2-[2-(octyloxy)ethoxy]-2-oxoethyl]imino]bis(acetic acid)

【CA登记号】222315-88-0, 222315-66-4 (diNa salt)

【分子式】C₄₂H₆₄N₂O₁₂

【分子量】788.98458

【开发单位】D-Pharm (Originator)

【药理作用】Cerebrovascular Diseases, Treatment of, NEUROLOGIC DRUGS, Neurologic Drugs (Miscellaneous), Stroke, Treatment of, Metal Chelators

合成路线1

Treatment of 1,2-bis-(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (I) with acetic anhydride and pyridine provided the cyclic anhydride (II). Ethylene glycol octyl ether (V) was prepared by Williamson's synthesis from the sodium alkoxide of ethylene glycol (III) and n-octyl bromide (IV). Finally, the title diester was obtained by heating anhydride (II) with the octyl ether of ethyleneglycol (V).

参考文献中间体

【1】 Kozak, A.; Shapiro, I. (D-Pharm Ltd.); Lipophilic diesters of chelating agents. JP 2001518458; WO 9916741 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(I)	52462			C₂₂H₂₄N₂O₁₀	详情	详情
(II)	52463	4-{2-[(2-{[2-(2,6-dioxo-4-morpholinyl)phenyl]oxy}ethyl)oxy]phenyl}-2,6-morpholinedione		C₂₂H₂₀N₂O₈	详情	详情
(III)	11295	Polyethylene glycol;1,2-Ethanediol;Monoethylene glycol; Ethylene glycol	107-21-1	C₂H₆O₂	详情	详情
(IV)	52464	Octyl bromide; 1-Octyl bromide; 1-Bromooctane; Capryl bromide; n-Octyl bromide	111-83-1	C₈H₁₇Br	详情	详情
(V)	52465	Ethylene glycol monooctyl ether; n-Octyl-monooxyethylene; Octylglycol	10020-43-6	C₁₀H₂₂O₂	详情	详情

Extended Information

Drug NewChemical Entity Original Patent(1)