CAS: 1361570-27-5; Methyl (4,6-Diamino-2-(1-(2-Fluorobenzyl)-1H-Pyrazolo[3,4-B]Pyridin-3-yl)Pyrimidin-5-yl)(Ethyl)Carbamate

该化合物是一种合成有机化合物,其复杂的分子结构具有其特征,包括碳酸盐,丙酰胺和丙烯基酮等多种功能组.该化合物通常因其潜在的生物活动,特别是在医药化学领域,其可能表现出与药物发展有关的特点而进行研究.其结构表明与生物目标的潜在互动,使其成为进一步药用评估的候选物.在苯基组中存在氟可能会增加脂性并影响化合物的药用特性.与许多合成化合物一样,其溶性,稳定性和再活性是决定其在不同用途,包括治疗用途中用途的效用的关键因素.在任何综合评估中,安全性和毒性简介也需要评估.

英文名称Methyl (4,6-Diamino-2-(1-(2-Fluorobenzyl)-1H-Pyrazolo[3,4-B]Pyridin-3-yl)Pyrimidin-5-yl)(Ethyl)Carbamate
中文名称利奥西呱杂质27
IUPAC名称methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-5-yl)(ethyl)carbamate
其它别名Methyl (4,6-Diamino-2-(1-(2-Fluorobenzyl); Methyl (4,6-Diamino-2-(1-(2-Fluorobenzyl)-1H-Pyrazolo[3,4-B]pyridin-3-yl)Pyrimidin-5-yl)(Ethyl)Carbamate; Riociguat Impurity 25; Trimethyl (2-(1-(2-Fluorobenzyl); Riociguat-26; Riociguat Impurity 23/methyl(4,6-Diamino-2-(1-(2-Fluorobenzyl)-1H-Pyrazolo[3,4-B]Pyridin-3-yl)Pyrimidin-5-yl)(Ethyl)Carbamate; Carbamic Acid, N-[4,6-Diamino-2-[1-[(2-Fluorophenyl)Methyl]-1H-Pyrazolo[3,4-B]Pyridin-3-Yl]-5-Pyrimidinyl]-N-Ethyl-, Methyl Ester; N-Ethyl Riociguat
CAS编号1361570-27-5
FDA UNII编号:L6HW3DD658
分子式:C21H21FN8O2分子量:436.45
产品CID: 564240
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: NAQNYHRLMMPINT-UHFFFAOYSA-N
InChI=1S/C21H21FN8O2/c1-3-29(21(31)32-2)16-17(23)26-19(27-18(16)24)15-13-8-6-10-25-20(13)30(28-15)11-12-7-4-5-9-14(12)22/h4-10H,3,11H2,1-2H3,(H4,23,24,26,27)
计算化学: 氢键受体数9.0氢键供体数2.0可旋转键数6.0

MSDS等安全信息

上下游产品

ethyl iodide6-amino-7-ethyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one 6-chloro-7-ethyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one 7-ethyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one

合成工艺路线路线简述

📜N-[4,6-二氨基-2-[1-[(2-氟苯基)甲基]-1H-吡唑并[3,4-B]吡啶-3-基]-5-嘧啶]-氨基甲酸甲酯,Alkaline Earth Salt Of/the/ Methylsulfuric Acid置于lithium Hexamethyldisilazane体系中,化学反应生成利奥西呱杂质27
参考文献:Discovery Of The Soluble Guanylate Cyclase Stimulator Vericiguat (Bay 1021189) For The Treatment Of Chronic Heart Failure
标题:Discovery Of The Soluble Guanylate Cyclase Stimulator Vericiguat (Bay 1021189) For The Treatment Of Chronic Heart Failure
摘要:The First-In-Class Soluble Guanylate Cyclase (Sgc) Stimulator Riociguat Was Recently Introduced As A Novel Treatment Option For Pulmonary Hypertension. Despite Its Outstanding Pharmacological Profile,Application Of Riociguat In Other Cardiovascular Indications Is Limited By Its Short Half-Life,Necessitating A Three Times Daily Dosing Regimen. In Our Efforts To Further Optimize The Compound Class,We Have Uncovered Interesting Structure Activity Relationships And Were Able To Decrease Oxidative Metabolism Significantly. These Studies Resulting In The Discovery Of Once Daily Sgc Stimulator Vericiguat (Compound 24,Bay 1021189),Currently In Phase 3 Trials For Chronic Heart Failure,Are Now Reported.
Doi:10.1021/acs.Jmedchem.7B00449