1-<<(benzyloxy)carbonyl>amino>-2-(methoxymethoxy)ethane | 122225-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-<<(benzyloxy)carbonyl>amino>-2-(methoxymethoxy)ethane
• 英文别名: {N-[2-(methoxymethoxyethyl)]carbamoyloxymethyl}phenyl；1-Methoxymethoxy-2-benzyloxycarbonylaminoethane；1-{[(benzyloxy)carbonyl]amino}-2-(methoxymethoxy)ethane；benzyl N-[2-(methoxymethoxy)ethyl]carbamate
• CAS: 122225-22-3
• 化学式: C₁₂H₁₇NO₄
• 分子量: 239.271
• InChiKey: VTEZVUHFLIJPQP-UHFFFAOYSA-N

物化性质

• 沸点：
  362.8±32.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-<<(benzyloxy)carbonyl>amino>-2-(methoxymethoxy)ethane 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 34.0h， 以60%的产率得到1-amino-2-(methoxymethoxy)ethane
  参考文献：
  名称：

  Potent, low molecular weight renin inhibitors containing a C-terminal heterocycle: hydrogen bonding at the active site

  摘要：

  A series of low-nanomolar renin inhibitors containing novel C-terminal heterocycles has been designed by formally cyclizing the C-terminus of a glycol-based inhibitor to the second hydroxyl. Molecular modeling suggests that the heterocyclic oxygen hydrogen bonds as an acceptor to the flap region of renin and that the second hydroxyl in the glycol-based inhibitors behaves similarly.

  DOI：

  10.1021/jm00168a009
• 作为产物：
  描述：

  2-苄氧羰基氨基-1-乙醇 、 氯甲基甲基醚 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以97%的产率得到1-<<(benzyloxy)carbonyl>amino>-2-(methoxymethoxy)ethane
  参考文献：
  名称：

  Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration

  摘要：

  该公式化合物（I）：其中R1、R2、R3、R4、R5、R6、p、q和n的定义如下，并描述了其药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）作用的药物。

  公开号：

  US20040014776A1

文献信息

• Glaucoma treatment
  申请人：Abbott Laboratories

  公开号：US04927807A1

  公开（公告）日：1990-05-22

  A method and a composition for treating or reducing and/or controlling intraocular pressure comprising administering an effective amount of a renin inhibiting compound of the formula: ##STR1## wherein A is a substituent; W is CO or CHOH and U is CH.sub.2 or NR.sub.2 wherein R.sub.2 is hydrogen or loweralkyl; with the proviso that when W is CHOH then U is CH.sub.2 ; R.sub.1 is loweralkyl, cycloalkyl, benzyl, (alpha, alpha)-dimethylbenzyl, 4-hydroxybenzyl, 4-methoxybenzyl, halobenzyl, (1-naphthyl)methyl, (2-naphthyl)methyl, (4-imidazoyl)methyl, phenethyl, 1-benzyloxyethyl, phenoxy, thiophenoxy or anilino; R.sub.3 is loweralkyl, loweralkenyl, ((alkoxy)alkoxy)alkyl, carboxyalkyl, (thioalkoxy)alkyl, benzyl or heterocyclic ring substituted methyl; and R.sub.4 is a substituted amino group; or pharmaceutically acceptable salts or esters thereof. Also disclosed are compositions, methods and kits for treating glaucoma or reducing and/or controlling intraocular pressure wherein the renin inhibiting compound is administered in combination with a beta-adrenergic antagonist, a steroidal antiinflammatory agent or an angiotensin converting enzyme inhibiting compound.

  一种用于治疗或减少和/或控制眼内压的方法和组合物，包括给予有效量的下式化合物的抑制肾素的化合物：##STR1## 其中A是取代基；W是CO或CHOH，U是CH.sub.2或NR.sub.2，其中R.sub.2是氢或较低烷基；但当W是CHOH时，则U为CH.sub.2；R.sub.1是较低烷基，环烷基，苄基，(α，α)-二甲基苄基，4-羟基苄基，4-甲氧基苄基，卤代苄基，(1-萘基)甲基，(2-萘基)甲基，(4-咪唑基)甲基，苯乙基，1-苄氧基乙基，苯氧基，噻吩氧基或苯胺基；R.sub.3是较低烷基，较低烯基，((烷氧基)烷氧基)烷基，羧基烷基，(硫代烷氧基)烷基，苄基或杂环戒取代甲基；R.sub.4是取代氨基；或其药学上可接受的盐或酯。还公开了用于治疗青光眼或减少和/或控制眼内压的组合物、方法和试剂盒，其中抑制肾素的化合物与β-肾上腺素受体拮抗剂、类固醇抗炎药或抑制血管紧张素转换酶的化合物结合给予。
• Renin-inhibiting peptidyl heterocycles
  申请人：ABBOTT LABORATORIES

  公开号：EP0307837A2

  公开（公告）日：1989-03-22

  A renin inhibiting compound of the formula: wherein A is a substituent; W is C=O, CHOH or NR₂ wherein R₂ is hydrogen or loweralkyl; U is C=O, CH₂ or NR₂ wherein R₂ is hydrogen or loweralkyl, with the proviso that when W is CHOH then U is CH₂ and with the proviso that U is C=O or CH₂ when W is NR₂; V is CH, C(OH) or C(halogen) with the proviso that V is CH when U is NR₂; R₁ is loweralkyl, cycloalkylalkyl, benzyl, (alpha, alpha)-dimethylbenzyl, 4-methoxybenzyl, halobenzyl, 4-hydroxybenzyl, (1-naphthyl)methyl, (2-naphthyl)methyl, (unsubstituted heterocyclic)methyl, (substituted heterocyclic)methyl, phenethyl, 1-benzyloxyethyl, phenoxy, thiophenoxy or anilino, provided that B is CH₂ or CHOH or A is hydrogen when R₁ is phenoxy, thiophenoxy or anilino; R₃ is loweralkyl, loweralkenyl, ((alkoxy)alkoxy)alkyl, carboxyalkyl, (thioalkoxy)alkyl, azidoalkyl, aminoalkyl, (alkyl)aminoalkyl, dialkylaminoalkyl, (alkoxy)(alkyl)aminoalkyl, (alkoxy)aminoalkyl, benzyl or heterocyclic ring substituted methyl; R₄ is loweralkyl, cycloalkylmethyl or benzyl; R₅ is OH or NH₂; and Z is a substituent. Also disclosed are compositions for and a method of treating hypertension, methods of making the renin inhibiting compounds and intermediates useful in making the renin inhibiting compounds.

  一种式的肾素抑制化合物： 其中 A 是取代基；W 是 C=O、CHOH 或 NR₂，其中 R₂ 是氢或低级烷基；U 是 C=O、CH₂ 或 NR₂，其中 R₂ 是氢或低级烷基，但当 W 是 CHOH 时，U 是 CH₂，当 W 是 NR₂ 时，U 是 C=O 或 CH₂；V 是 CH、C(OH) 或 C(卤素)，但当 U 是 NR₂ 时，V 是 CH；(取代杂环)甲基、苯乙基、1-苄氧基乙基、苯氧基、噻吩氧基或苯胺基，但当 R₁ 为苯氧基、噻吩氧基或苯胺基时，B 为 CH₂ 或 CHOH 或 A 为氢；R₃ 是低级烷基、低级烯基、((烷氧基)烷氧基)烷基、羧基烷基、(硫代烷氧基)烷基、叠氮烷基、氨基烷基、(烷基)氨基烷基、二烷基氨基烷基、(烷氧基)(烷基)氨基烷基、(烷氧基)氨基烷基、苄基或杂环取代的甲基；R₄ 是低级烷基、环烷基甲基或苄基；R₅ 是 OH 或 NH₂；Z 是取代基。 还公开了治疗高血压的组合物和方法、制造肾素抑制化合物的方法以及制造肾素抑制化合物的中间体。
• Retroviral protease inhibitors
  申请人：ABBOTT LABORATORIES

  公开号：EP0342541A2

  公开（公告）日：1989-11-23

  A retroviral protease inhibiting compound of the formula: or a pharmaceutically acceptable salt, prodrug or ester thereof.

  一种抑制逆转录病毒蛋白酶的式化合物： 或其药学上可接受的盐、原药或酯。
• ROSENBERG, SAUL H.;DELLARIA, JOSEPH F.;KEMPF, DALE J.;HUTCHINS, CHARLES W+, J. MED. CHEM., 33,(1990) N, C. 1582-1590
  作者：ROSENBERG, SAUL H.、DELLARIA, JOSEPH F.、KEMPF, DALE J.、HUTCHINS, CHARLES W+

  DOI：——

  日期：——
• EP0415981A4
  申请人：——

  公开号：EP0415981A4

  公开（公告）日：1991-10-09