tert-butyl-1-cyclohexyl-2-hydroxyethylcarbamate | 1312023-04-3

• 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: tert-butyl-1-cyclohexyl-2-hydroxyethylcarbamate
• 英文别名: tert-Butyl (1-cyclohexyl-2-hydroxyethyl)carbamate；tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
• CAS: 1312023-04-3
• 化学式: C₁₃H₂₅NO₃
• 分子量: 243.346
• InChiKey: YNBRORWNNGUYQA-UHFFFAOYSA-N

物化性质

• 沸点：
  371.2±25.0 °C(Predicted)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl-1-cyclohexyl-2-hydroxyethylcarbamate 、 5-溴-1-(2,6-二氟苄基)-6-甲基-2,4(1H,3H)-嘧啶二酮 在 偶氮二甲酸二叔丁酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以95.4%的产率得到(R)-5-bromo-3-(N-tert-butoxycarbonyl-2-amino-2-cyclohexylethyl)-1-(2,6-difluorobenzyl)-6-methyluracil
  参考文献：
  名称：

  [EN] GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  [FR] ANTAGONISTES DES RECEPTEURS DES HORMONES LIBERANT DES GONADOTROPINES ET PROCEDES CONNEXES

  摘要：

  抑制性激素释放激素受体拮抗剂已经被披露，可用于治疗男性和女性的多种与性激素相关的疾病。本发明的化合物具有以下结构：其中n、R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X如本文所定义，包括立体异构体、前药和其药用可接受的盐。还披露了含有本发明化合物的组合物，以及与药用可接受载体结合的方法，用于拮抗需要的受试者体内的促性腺激素释放激素。

  公开号：

  WO2005007633A1
• 作为产物：
  描述：

  N-Boc-N-cyclohexylglycine 在 硼烷 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以66.7%的产率得到tert-butyl-1-cyclohexyl-2-hydroxyethylcarbamate
  参考文献：
  名称：

  [EN] GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  [FR] ANTAGONISTES DES RECEPTEURS DES HORMONES LIBERANT DES GONADOTROPINES ET PROCEDES CONNEXES

  摘要：

  抑制性激素释放激素受体拮抗剂已经被披露，可用于治疗男性和女性的多种与性激素相关的疾病。本发明的化合物具有以下结构：其中n、R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X如本文所定义，包括立体异构体、前药和其药用可接受的盐。还披露了含有本发明化合物的组合物，以及与药用可接受载体结合的方法，用于拮抗需要的受试者体内的促性腺激素释放激素。

  公开号：

  WO2005007633A1

文献信息

• [EN] CYCLOBUTENEDIONE GROUPS-CONTAINING COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE<br/>[FR] GROUPES CYCLOBUTENEDIONE CONTENANT DES COMPOSES SERVANT D'INHIBITEURS A LA SERINE PROTEASE NS3 DU VIRUS DE L'HEPATITE C
  申请人：SCHERING CORP

  公开号：WO2005085197A1

  公开（公告）日：2005-09-15

  The present invention discloses novel compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such compounds as well as methods of using them to treat disorders associated with the HCV protease.

  本发明公开了具有HCV蛋白酶抑制活性的新化合物，以及制备这种化合物的方法。在另一实施方式中，本发明公开了包含这种化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• [EN] PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE PYRIMIDINE-2, 4-DIONE UTILISES COMME ANTAGONISTES DU RECEPTEUR D'HORMONE LIBERANT DE LA GONADOTROPHINE
  申请人：NEUROCRINE BIOSCIENCES INC

  公开号：WO2005007165A1

  公开（公告）日：2005-01-27

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R1a, R1b, R1c, R2a, R2b, R3, R4, R5, R6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  GnRH受体拮抗剂被披露，对男性和女性的各种与性激素相关的疾病具有治疗作用。本发明的化合物具有以下结构：其中R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X的定义如本文所述，包括立体异构体、前药和其药用可接受盐。还披露了含有本发明化合物的组合物与药用可接受载体的组合物，以及与在需要时对抗性腺激素释放激素的使用方法。
• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Guo Zhiqiang

  公开号：US20050038057A1

  公开（公告）日：2005-02-17

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , R 6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，可用于治疗男女性激素相关疾病的多种情况。本发明的化合物具有以下结构：其中R1a，R1b，R1c，R2a，R2b，R3，R4，R5，R6和X的定义如本文所述，包括立体异构体，前药和其药物可接受的盐。还揭示了含有本发明化合物的组合物及其与药物可接受的载体的组合物，以及与用于拮抗需要该类物质的受试者的促性腺激素释放激素相关的方法。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：Guo Zhiqiang

  公开号：US20070191403A1

  公开（公告）日：2007-08-16

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R 1a , R 1b , R 1c , R 2a , R 2b , R 3 , R 4 , R 5 , R 6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明公开了具有治疗男女性激素相关疾病的效用的GnRH受体拮抗剂。本发明的化合物具有以下结构：其中，R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X的定义如本文所述，包括立体异构体、前药和其药物可接受的盐。本发明还公开了含有本发明化合物与药物可接受载体结合的组合物，以及与拮抗需要拮抗性腺激素释放激素的受试者相关的使用方法。
• Gonadotropin-releasing hormone receptor antagonists and methods related thereto
  申请人：Neurocrine Biosciences, Inc.

  公开号：US07419983B2

  公开（公告）日：2008-09-02

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein R1a, R1b, R1c, R2a, R2b, R3, R4, R5, R6 and X are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明公开了GnRH受体拮抗剂，其在治疗男女性激素相关疾病方面具有实用性。本发明化合物具有以下结构：其中R1a、R1b、R1c、R2a、R2b、R3、R4、R5、R6和X的定义如本文所述，包括立体异构体、前药和其药学上可接受的盐。本发明还公开了含有该化合物与药学上可接受的载体组合的组合物，以及与拮抗性促性腺激素释放激素有关的使用方法，用于需要该方法的受体。