CAS: 26839-77-0; (Z)-But-2-Enedioic Acid,(2R)-1-(Tert-Butylamino)-3-[(4-Morpholin-4-Yl-1,2,5-Thiadiazol-3-yl)Oxy]Propan-2-Ol

该化合物是一种选择性的β-1-Adrenergic 受体对立物,主要用于药理研究和眼科应用,其主要优点包括:高对应纯度,确保精确的生物活动,在针对心血管和内心压力调节的研究中始终如一地发挥作用.红盐形式提高了溶性,增加了稳定性,促进了水溶剂的配制.该化合物对于调查因(R--+)配置而导致的过敏路径的立体相互作用特别有用.严格的质量控制保证了研究标准得到遵守,使其成为机械学研究和临床发育的可靠选择.其有据可查的成文的相色谱进一步支持其在实验和治疗环境中的实用性.

英文名称(Z)-But-2-Enedioic Acid,(2R)-1-(Tert-Butylamino)-3-[(4-Morpholin-4-Yl-1,2,5-Thiadiazol-3-yl)Oxy]Propan-2-Ol
中文名称马来酸噻吗洛尔
其它别名(+)-3-[3-(tert-Butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole maleate
CAS编号26839-77-0
MFCD编号:MFCD09838437
EINECS号:248-034-7
FDA UNII编号:78U14B243Y
分子式:C17H28N4O7S
分子量:432.49
产品CID: 1247750
产品分类原料药 → 循环系统用药 → 抗心律失常药

相似结构搜索
InChIKey: WLRMANUAADYWEA-ASSQPYIHSA-N
1S/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8…
计算化学: 氢键受体数12.0氢键供体数4.0可旋转键数9.0

物理性质

熔点199-203 °C
沸点487.2 °C at 760 mmHg
闪点248.5 °C
PSA:182.58
LogP:0.6702
蒸汽压2.62E-10mmHg at 25°C
溶解性DMSO (Slightly), Methanol (Very Slightly)
外观形态白色至类白色固体
储存条件-20°C 冷藏

MSDS等安全信息

警示词Warning
危险描述H315; H319; H335
防范说明P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
WGK Germany3

合成工艺路线路线简述

4-吗啉-4-基-1,2,5-三唑-3-酮置于(R,R)-(Salen)Co[oc(Cf3)3] Potassium Tert-Butylate,Potassium Iodide体系中,用四氢呋喃用作溶剂,化学反应 86.0H,反应生成马来酸噻吗洛尔
参考文献:Enantioselective Synthesis Of (S)-Timolol Via Kinetic Resolution Of Terminal Epoxides And Dihydroxylation Of Allylamines
标题:Enantioselective Synthesis Of (S)-Timolol Via Kinetic Resolution Of Terminal Epoxides And Dihydroxylation Of Allylamines
摘要:An Efficient Enantioselective Synthesis Of (S)-Timolol Has Been Described Using Chiral Co-Salen-Catalyzed Kinetic Resolution Of Less Expensive (+/-)-Epichlorohydrin With 3-Hydroxy-4-(N-Morpholino)-1,2,5-Thiadiazole In Good Overall Yield (55%) And Excellent Enantioselectivity (98%). Synthesis Of (S)-Timolol Has Also Been Achieved Using Hydrolytic Kinetic Resolution As Well As Asymmetric Dihydroxylation Routes In 90% Ee And 56% Ee,Respectively. (C) 2007 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Tet.2007.01.057