N-cyclohexylglycine tert-butyl ester | 66937-55-1

• 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: N-cyclohexylglycine tert-butyl ester
• 英文别名: L-cyclohexylglycine t-butyl ester；tert-butyl 2-(cyclohexylamino)acetate；N-cyclohexylglycine t-butyl ester；D-cyclohexylglycine t-butyl ester
• CAS: 66937-55-1
• 化学式: C₁₂H₂₃NO₂
• mdl: MFCD12148621
• 分子量: 213.32
• InChiKey: DVYPSLMUDOCIFD-UHFFFAOYSA-N

物化性质

• 沸点：
  286.4±23.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-cyclohexylglycine tert-butyl ester 在 碘代三甲硅烷 、 氨 、 水 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 19.42h， 生成 [Cyclohexyl-(3-mercapto-2-methyl-propionyl)-amino]-acetic acid
  参考文献：
  名称：

  Angiotensin-converting enzyme inhibitors. New orally active antihypertensive (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives

  摘要：

  A variety of N-substituted (mercaptoalkanoyl)- and [(acylthio)alkanoyl]glycine derivatives was synthesized and their ability in inhibiting the activity of angiotensin-converting enzyme (ACE) was examined in vitro and in vivo. The acylthio derivatives prepared are assumed to act as prodrugs since they are much less active than the corresponding free SH compounds in vitro and can be expected to act in vivo only after conversion to the free sulfhydryl compounds. A number of these compounds are potent ACE inhibitors that lowered blood pressure in Na-deficient, conscious spontaneously hypertensive rats (SHR), a high renin model. One of the most active members of the series was (S)-N-cyclopentyl-N-[3-[(2,2-dimethyl-1-oxopropyl)thio]-2-methyl-1 -oxopropyl]glycine (REV 3659-(S), pivopril). Structure-activity relationships are discussed.

  DOI：

  10.1021/jm00379a013
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 环己胺 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以100%的产率得到N-cyclohexylglycine tert-butyl ester
  参考文献：
  名称：

  新型PTHR1拮抗剂的发现：设计，合成和结构活性之间的关系。

  摘要：

  描述了一系列新型PTHR1拮抗剂的发现和优化。从已知的PTHR1拮抗剂开始，我们通过支架跳跃方法确定了更有效的1,4-苯并二氮杂-2-酮衍生物。在药代动力学研究中，代表性化合物23（DS08210767）表现出纳摩尔水平的PTHR1拮抗剂活性和潜在的口服生物利用度。

  DOI：

  10.1016/j.bmcl.2019.07.052

文献信息

• Thrombin inhibitors. 3. Carboxyl-containing amide derivatives of N.alpha.-substituted L-arginine
  作者：Ryoji Kikumoto、Yoshikuni Tamao、Kazuo Ohkubo、Tohru Tezuka、Shinji Tonomura、Shosuke Okamoto、Akiko Hijikata

  DOI：10.1021/jm00186a003

  日期：1980.12

  N alpha-(arylsulfonyl)-L-arginine amide derivatives having carboxamide N-substituents with a carboxyl group was prepared and tested as inhibitors of the clotting activity of thrombin. The most inhibitory compounds were obtained when a carboxyl group was introduced into the carbon next to the amide nitrogen of N alpha-(arylsulfonyl)-L-arginine amide derivatives, e.g., N alpha-(arylsulfonyl)-L-arginyl-N-butyl-

  制备了一系列具有羧基羧基酰胺N-取代基的Nα-（芳基磺酰基）-L-精氨酸酰胺衍生物，并测试了它们作为凝血酶凝血活性的抑制剂。当在Nα-（芳基磺酰基）-L-精氨酸酰胺衍生物（例如Nα-（芳基磺酰基）-L-精氨酸-N-丁基）的酰胺氮旁的碳原子中引入羧基时，获得最具抑制性的化合物。 -，N-（甲氧基乙基）-或N-（四氢糠基）甘氨酸和4-烷基-1- [Nα-（芳基磺酰基）-L-精氨酰基] -2-哌啶甲酸，I50为1-3 X 10（ -7）M.
• [EN] BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS<br/>[FR] DÉRIVÉS DE BENZAMIDE ET LEUR UTILISATION COMME INHIBITEURS DE HSP90
  申请人：CHROMA THERAPEUTICS LTD

  公开号：WO2011154708A1

  公开（公告）日：2011-12-15

  The invention provides a compound which is (a) a phenylamide derivative of formula (I) or a tautomer thereof, or (b) a pharmaceutically acceptable salt, N-oxide, hydrate, prodrug or solvate thereof: wherein R1, R2, R3, R4, R5, R6 and R7 are as defined herein. The compounds are useful in the treatment of diseases mediated by HSP90.

  该发明提供了一种化合物，该化合物是（a）式（I）的苯胺衍生物或其互变异构体，或者（b）其药用可接受的盐、N-氧化物、水合物、前药或溶剂化合物：其中R1、R2、R3、R4、R5、R6和R7如本文所定义。这些化合物在治疗由HSP90介导的疾病中很有用。
• Antihypertensive amides
  申请人：USV Pharmaceutical Corporation

  公开号：US04256761A1

  公开（公告）日：1981-03-17

  Compounds of the structure: ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, and R.sub.6 are hydrogen, alkyl, alkenyl, alkynyl, phenyl-alkyl, or cycloalkyl, n is an integer from 0 to 4 inclusive, M is alkenyl, alkynyl, cycloalkyl, cycloalkyl-alkyl, polycycloalkyl, polycyclo-alkyl-alkyl, aryl, aralkyl, heteroaryl, heteroaryl-alkyl, hetero-cycloalkyl, hetero-cycloalkyl-alkyl, alkoxyalkyl, alkylthioalkyl, alkylamino-alkyl, dialkylamino-alkyl, fused aryl-cycloalkyl, fused aryl-cycloalkyl-alkyl, fused heteroaryl-cycloalkyl, or fused heteroaryl-cycloalkyl-alkyl, Y is hydroxy, alkoxy, amino, or substituted amino, aminoalkanoyl, aryloxy, aminoalkoxy, or hydroxyalkoxy, and R.sub.7 is hydrogen, alkanoyl, carboxylalkanoyl, hydroxyalkanoyl, amino-alkanoyl, cyano, amidino, carbalkoxy, ZS, or ##STR2## wherein Z is hydrogen, alkyl, hyroxyalkyl, aminoalkyl or the radical ##STR3## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6, n, M and Y are as described above; and where Y is hydroxy their non-toxic, pharmaceutically acceptable alkali metal, alkaline earth metal, and amine salts.

  结构化合物：##STR1## 其中 R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5 和 R.sub.6 为氢、烷基、烯基、炔基、苯基-烷基或环烷基，n 为0至4之间的整数，M 为烯基、炔基、环烷基、环烷基-烷基、多环烷基、多环烷基-烷基、芳基、芳基-烷基、杂环芳基、杂环芳基-烷基、杂环烷基、杂环烷基-烷基、烷氧基烷基、烷基硫基烷基、烷基氨基烷基、二烷基氨基烷基、融合芳基-环烷基、融合芳基-环烷基-烷基、融合杂环芳基-环烷基或融合杂环芳基-环烷基-烷基，Y 为羟基、烷氧基、氨基或取代氨基、氨基烷酰基、芳氧基、氨基烷氧基或羟基烷氧基，R.sub.7 为氢、烷酰基、羧酰烷酰基、羟基烷酰基、氨基-烷酰基、氰基、胺基、羧酯基、ZS 或 ##STR2## 其中 Z 为氢、烷基、羟基烷基、氨基烷基或基团 ##STR3## 其中 R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6、n、M 和 Y 如上所述；当 Y 为羟基时，它们的非毒性、药学上可接受的碱金属、碱土金属和胺盐。
• Novel CD40 : CD154 binding interruptor compounds and use thereof to treat immunological complications
  申请人：——

  公开号：US20040067982A1

  公开（公告）日：2004-04-08

  The present invention relates to novel CD40:CD154 binding interrupter compounds and use of these compounds and pharmaceutical compositions comprising them, to treat conditions associated with inappropriate CD154 activation in a subject. Specifically, this invention provides compounds which are identified by screening a library of small molecules for those that are capable of specifically binding CD154 and interrupting CD40:CD154 interaction.

  本发明涉及新型CD40：CD154结合中断化合物以及使用这些化合物和包含它们的药物组合物，用于治疗与受试者中不适当的CD154激活相关的疾病。具体而言，本发明提供通过筛选小分子库以识别能够特异性结合CD154并中断CD40：CD154相互作用的化合物。
• [EN] N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY<br/>[FR] MODULATEURS N-CYCLOPENTYLIQUES DE L'ACTIVITE DU RECEPTEUR DE LA CHIMIOKINE
  申请人：MERCK & CO INC

  公开号：WO2000076972A1

  公开（公告）日：2000-12-21

  The present invention is directed to compounds of formula (I) (wherein R?1, R3, R4, R5, R6, R7, R8¿, X, n, x and y are defined herein) which are useful as modulators of chemokine receptor activity. In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3.

  本发明涉及式(I)的化合物（其中R?1，R3，R4，R5，R6，R7，R8¿，X，n，x和y在此定义），其作为趋化因子受体活性调节剂是有用的。特别地，这些化合物是趋化因子受体CCR-5和/或CCR-3的调节剂。