4-(((benzyloxy)carbonyl)amino)pentanoic acid | 62135-75-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(((benzyloxy)carbonyl)amino)pentanoic acid
• 英文别名: 4-(phenylmethoxycarbonylamino)pentanoic acid
• CAS: 62135-75-5
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: NWVSQRJLQMNHQX-UHFFFAOYSA-N

物化性质

• 沸点：
  455.2±38.0 °C(Predicted)
• 密度：
  1.184±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(((benzyloxy)carbonyl)amino)pentanoic acid 在 sodium tetrahydroborate 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 4-(((benzyloxy)carbonyl)amino)pentyl methanesulfonate
  参考文献：
  名称：

  IOP-lowering effect of isoquinoline-5-sulfonamide compounds in ocular normotensive monkeys

  摘要：

  Rho-associated coiled coil-formed protein kinase (ROCK) inhibitors are under development as a new class of antiglaucoma agents. Based on the potent ROCK inhibitor H-1152, previously developed by us, we explored the possibility of related compounds as antiglaucoma agents and synthesized seven types of H-1152-inspired isoquinoline-5-sulfonamide compounds (H-0103-H-0107, H-1001, H-1005). Although all of these compounds potently inhibited ROCK (IC50 = 18-48 nM), only H-0104 and H-0106 exerted strong intraocular pressure (IOP)-lowering effects into the eyes of monkeys. These results suggested the possibility that there is no direct relationship between ROCK inhibition and IOP-lowering effects, indicating that the initial screening of compounds based on ROCK inhibitory activity may be an unsuitable strategy for developing antiglaucoma agents with potent IOP-lowering effects. (C) 2014 Elsevier Ltd. All rights rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.085
• 作为产物：
  描述：

  4-aminopentanoic acid 、 氯甲酸苄酯 在 potassium hydroxide 作用下， 以 水 、 丙酮 为溶剂， 反应 0.5h， 以1.4 g的产率得到4-(((benzyloxy)carbonyl)amino)pentanoic acid
  参考文献：
  名称：

  [EN] HEPATITIS B CAPSID ASSEMBLY MODULATORS
  [FR] MODULATEURS D'ASSEMBLAGE DE CAPSIDE DE L'HÉPATITE B

  摘要：

  本文描述了公式(I)的乙型肝炎衣壳组装调节剂化合物以及包括这些化合物的药物组合物。这些化合物和组合物对于治疗乙型肝炎是有用的。

  公开号：

  WO2021178362A1

文献信息

• [EN] HEPATITIS B CAPSID ASSEMBLY MODULATORS<br/>[FR] MODULATEURS D'ASSEMBLAGE DE CAPSIDE DE L'HÉPATITE B
  申请人：VENATORX PHARMACEUTICALS INC

  公开号：WO2021178362A1

  公开（公告）日：2021-09-10

  Described herein are hepatitis B capsid assembly modulator compounds of formula (I) and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for the treatment of hepatitis B.

  本文描述了公式(I)的乙型肝炎衣壳组装调节剂化合物以及包括这些化合物的药物组合物。这些化合物和组合物对于治疗乙型肝炎是有用的。
• [EN] POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY<br/>[FR] COMPOSES DE POLYOL ET D'ACIDES AMINES AGISSANT SUR L'HELICOBACTER PYLORI
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：WO1999002549A1

  公开（公告）日：1999-01-21

  (EN) A compound of formula (I) wherein R1 represents amino which may be substituted; R2 represents carboxy which may be esterified or amidated; R3, R4, R5, and R6 each represents hydroxy which may be protected; Q represents aryl which may be substituted; or a salt thereof. The compound (I) possesses anti-$i(Helicobacter pylori) activity, and useful in the prevention or treatment of various diseases associated with $i(Helicobacter) bacteria, such as duodenal ulcer, gastric ulcer, chronic gastritis, and cancer of the stomach.(FR) L'invention porte sur un composé de formule (I) dans laquelle R1 représente amino facultativement substitué; R2 représente carboxy facultativement estérifié ou amidé; R3, R4, R5 et R6 représentent chacun hydroxy facultativement protégé; Q représente aryle facultativement substitué; ou l'un de leurs sels. Le composé (I) agit sur l'$i(helicobacter pylori) et s'avère utile pour prévenir ou traiter différentes maladies associées à la bactérie $i(helicobacter) telles que l'ulcère duodénal, l'ulcère gastrique, les gastrites chroniques, et le cancer de l'estomac.

  化合物(I)的化学式为：其中R1代表可能被取代的氨基；R2代表可能被酯化或酰胺化的羧基；R3、R4、R5和R6各代表可能被保护的羟基；Q代表可能被取代的芳基；或其盐。该化合物(I)具有抗$ i(Helicobacter pylori)活性，并可用于预防或治疗与$ i(Helicobacter)细菌相关的各种疾病，如十二指肠溃疡、胃溃疡、慢性胃炎和胃癌。
• PILIPAUSKAS D. R.; KOPPLE K. D., TETRAHEDRON <TETR-AB>, 1976, 32, NO 18, 2245-2247
  作者：PILIPAUSKAS D. R.、 KOPPLE K. D.

  DOI：——

  日期：——
• POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0998488A1

  公开（公告）日：2000-05-10
• IOP-lowering effect of isoquinoline-5-sulfonamide compounds in ocular normotensive monkeys
  作者：Kengo Sumi、Yoshihiro Inoue、Masahiro Nishio、Yasuhito Naito、Takamitsu Hosoya、Masaaki Suzuki、Hiroyoshi Hidaka

  DOI：10.1016/j.bmcl.2013.12.085

  日期：2014.2

  Rho-associated coiled coil-formed protein kinase (ROCK) inhibitors are under development as a new class of antiglaucoma agents. Based on the potent ROCK inhibitor H-1152, previously developed by us, we explored the possibility of related compounds as antiglaucoma agents and synthesized seven types of H-1152-inspired isoquinoline-5-sulfonamide compounds (H-0103-H-0107, H-1001, H-1005). Although all of these compounds potently inhibited ROCK (IC50 = 18-48 nM), only H-0104 and H-0106 exerted strong intraocular pressure (IOP)-lowering effects into the eyes of monkeys. These results suggested the possibility that there is no direct relationship between ROCK inhibition and IOP-lowering effects, indicating that the initial screening of compounds based on ROCK inhibitory activity may be an unsuitable strategy for developing antiglaucoma agents with potent IOP-lowering effects. (C) 2014 Elsevier Ltd. All rights rights reserved.