(S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate | 1001614-49-8

• 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: (S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate
• 英文别名: tert-butyl N-[(2S)-1-fluoro-4,4-dimethyl-1-oxopentan-2-yl]carbamate
• CAS: 1001614-49-8
• 化学式: C₁₂H₂₂FNO₃
• 分子量: 247.31
• InChiKey: GZJSEUMWZOAEPQ-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl 1-fluoro-4,4-dimethyl-1-oxopentan-2-ylcarbamate 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 11.21h， 生成 N-((S)-1-((3R,3aR,6aR)-3-hydroxydihydro-2H-furo[3,2-b]pyrrol-4(5H,6H,6aH)-yl)-4,4-dimethyl-1-oxopentan-2-yl)-4-(4-methylpiperazin-1-yl)benzamide
  参考文献：
  名称：

  WO2008/7103

  摘要：

  公开号：

文献信息

• FURO[3. 2-B] PYRROL DERIVATIVES
  申请人：Quibell Martin

  公开号：US20100216811A1

  公开（公告）日：2010-08-26

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein: R 3 is tert-butylmethyl, sec-butyl or tert-butyl; X is CH or N; and R 4 is optionally substituted C 1-8 alkyl or optionally substituted C 3-8 cycloalkyl. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, diseases involving matrix or cartilage degradation, and bone cancer disorders such as bone metastases and associated pain.

  本发明涉及式（I）的化合物及其药学上可接受的盐，其中：R3是叔丁基甲基、仲丁基或叔丁基；X是CH或N；R4是可选取代的C1-8烷基或可选取代的C3-8环烷基。本发明还涉及包含式（I）的化合物的药物组合物，以及将这些化合物用于治疗从骨质疏松症、帕盖特病、查加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病、涉及基质或软骨降解的疾病，以及骨癌疾病，如骨转移和相关疼痛。
• Tetrahydrofuro[3,2-B] pyrrol-3-ones as cathepsin K inhibitors
  申请人：Amura Therapeutics Limited

  公开号：US07803803B2

  公开（公告）日：2010-09-28

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein: X is CH or N; one of R1 and R2 is H, and the other is selected from OR6, SR6, NR6R7, N3, Me, Et, CF3, SOR8 and SO2R8; R3 is selected from tert-butylmethyl, iso-propylmethyl, sec-butyl, tert-butyl, cyclopentyl and cyclohexyl; R4 is optionally substituted C1-8 alkyl or optionally substituted C3-8 cycloalkyl; R6 and R7 are each independently selected from H, C1-8-alkyl and C3-8-cycloalkyl, or R6 and R7 are linked to form a cyclic group together with the nitrogen to which they are attached; and R8 is C1-8-alkyl or C3-8-cycloalkyl. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, diseases involving matrix or cartilage degradation, and bone cancer disorders such as bone metastases and associated pain.

  本发明涉及公式(I)的化合物及其药学上可接受的盐，其中：X为CH或N；R1和R2中的一个为H，另一个选择自OR6、SR6、NR6R7、N3、Me、Et、CF3、SOR8和SO2R8；R3选择自叔丁基甲基、异丙基甲基、仲丁基、叔丁基、环戊基和环己基；R4为可选择性取代的C1-8烷基或可选择性取代的C3-8环烷基；R6和R7各自独立地选择自H、C1-8烷基和C3-8环烷基，或R6和R7与它们所附着的氮一起形成一个环状基团；R8为C1-8烷基或C3-8环烷基。本发明还涉及包含公式(I)化合物的药物组合物，以及在治疗骨质疏松症、帕盖特病、查加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病、涉及基质或软骨降解的疾病以及骨癌疾病如骨转移和相关疼痛中使用这种化合物的用途。
• Furo[3. 2-B] pyrrol derivatives
  申请人：Amura Therapeutics Limited

  公开号：US08053437B2

  公开（公告）日：2011-11-08

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein: R3 is tert-butylmethyl, sec-butyl or tert-butyl; X is CH or N; and R4 is optionally substituted C1-8 alkyl or optionally substituted C3-8 cycloalkyl. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, diseases involving matrix or cartilage degradation, and bone cancer disorders such as bone metastases and associated pain.

  本发明涉及式（I）的化合物及其药学上可接受的盐，其中：R3为叔丁基甲基、仲丁基或叔丁基；X为CH或N；R4为可选取代的C1-8烷基或可选取代的C3-8环烷基。本发明还涉及包含式（I）的化合物的制药组合物，以及在治疗骨质疏松症、帕盖特病、查加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病、涉及基质或软骨降解的疾病以及与骨转移相关的骨癌疾病和相关疼痛方面使用这种化合物的方法。
• Furo[3, 2-b] pyrrol derivatives
  申请人：Quibell Martin

  公开号：US20090186906A1

  公开（公告）日：2009-07-23

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein: R 3 is ten-butylmethyl, sec-butyl or tert-butyl; X is CH or N; and R 4 is optionally substituted C 1-8 alkyl or optionally substituted C 3-8 cycloalkyl. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, diseases involving matrix or cartilage degradation, and bone cancer disorders such as bone metastases and associated pain.

  本发明涉及式（I）的化合物及其药学上可接受的盐，其中：R3是十丁基甲基、仲丁基或叔丁基；X是CH或N；R4是可选取代的C1-8烷基或可选取代的C3-8环烷基。本发明还涉及包含式（I）的化合物的制药组合物，以及在治疗骨质疏松症、帕盖特病、恰加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病、涉及基质或软骨降解的疾病以及骨癌性疾病如骨转移和相关疼痛方面使用这些化合物的用途。
• Tetrahdrofuro[3,2-B] pyrrol-3- one as cathepsin k inhibitors
  申请人：Quibell Martin

  公开号：US20090197817A1

  公开（公告）日：2009-08-06

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof, wherein: X is CH or N; one of R 1 and R 2 is H, and the other is selected from OR 6 , SR 6 , NR 6 R 7 , N 3 , Me, Et, CF 3 , SOR 8 and SO 2 R 8 ; R 3 is selected from tert-butylmethyl, iso-propylmethyl, sec-butyl, tert-butyl, cyclopentyl and cyclohexyl; R 4 is optionally substituted C 1-8 alkyl or optionally substituted C 3-8 cycloalkyl; R 6 and R 7 are each independently selected from H, C 1-8 -alkyl and C 3-8 -cycloalkyl, or R 6 and R 7 are linked to form a cyclic group together with the nitrogen to which they are attached; and R 8 is C 1-8 -alkyl or C 3-8 -cycloalkyl. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease, diseases involving matrix or cartilage degradation, and bone cancer disorders such as bone metastases and associated pain.

  本发明涉及式（I）的化合物及其药学上可接受的盐，其中：X为CH或N；R1和R2中的一个为H，另一个选自OR6、SR6、NR6R7、N3、Me、Et、CF3、SOR8和SO2R8；R3选自叔丁基甲基、异丙基甲基、仲丁基、叔丁基、环戊基和环己基；R4为可选取代的C1-8烷基或可选取代的C3-8环烷基；R6和R7各自独立选自H、C1-8烷基和C3-8环烷基，或者R6和R7与它们所连接的氮一起形成一个环状基团；R8为C1-8烷基或C3-8环烷基。本发明还涉及包含式（I）化合物的药物组合物，以及在治疗骨质疏松症、帕盖特病、恰加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病、涉及基质或软骨降解的疾病以及骨癌疾病如骨转移和相关疼痛方面使用这种化合物的方法。