4-[5-(3-bromofuran-2-yl)-[1,2,4]oxadiazol-3-yl]-piperazine-1-carboxylic acid tert-butyl ester | 721450-54-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[5-(3-bromofuran-2-yl)-[1,2,4]oxadiazol-3-yl]-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-[5-(3-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]piperazine-1-carboxylate
• CAS: 721450-54-0
• 化学式: C₁₅H₁₉BrN₄O₄
• 分子量: 399.244
• InChiKey: YGIWXXHAGCJMPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  84.8
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• 3,5-Disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20040127521A1

  公开（公告）日：2004-07-01

  Disclosed are 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs thereof, represented by the Formula I: 1 wherein Ar 1 , R 2 , A, B and D are defined herein. The present invention relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  揭示了3,5-二取代-[1,2,4]-噁二唑及其类似物，由式I所表示：其中Ar1、R2、A、B和D在此处定义。本发明涉及发现具有式I的化合物是半胱氨酸蛋白酶激活剂和凋亡诱导剂。因此，本发明的半胱氨酸蛋白酶激活剂和凋亡诱导剂可用于诱导在各种临床病况中发生细胞死亡的情况，其中出现了异常细胞的不受控制的生长和扩散。
• 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use of thereof
  申请人：Cai Xiong Sui

  公开号：US20070112003A1

  公开（公告）日：2007-05-17

  Disclosed are 3,5-disubstituted-[1,2,4]-oxadiazoles and analogs thereof, represented by the Formula I: wherein Ar 1 , R 2 , A, B and D are defined herein. The present invention relates to the discovery that compounds having Formula I are activators of caspases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention may be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及3,5-二取代-[1,2,4]-噁二唑及其类似物，由式I表示：其中Ar1、R2、A、B和D在此定义。本发明涉及发现具有式I的化合物是caspase的激活剂和凋亡诱导剂。因此，本发明的caspase激活剂和凋亡诱导剂可用于诱导在不受控制的异常细胞生长和扩散的各种临床状况中的细胞死亡。
• 1,4-Substituted Piperazine Derivatives
  申请人：Kawamoto Hiroshi

  公开号：US20090062293A1

  公开（公告）日：2009-03-05

  A compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R 1 represents a branched lower alkyl group having from 3 to 9 carbon atoms or the like; R 2 represents a 6-membered heteroaryl group having 1 or 2 nitrogen atoms or the like; R 3 represents a hydrogen atom, an alkanoylamino group or the like; R 4 represents a hydrogen atom, a lower alkyl group or the like; X 1 represents an oxygen atom or a sulfur atom; X 2 represents an oxygen atom or a single bond; and m indicates an integer of from 0 to 4. This compound has a metabotropic glutamate receptor 1 inhibitory effect, and therefore is useful for the treatment of a brain disorder such as convulsion, acute pain, inflammatory pain, chronic pain, cerebral infraction or transient cerebral ischemic attack, a mental dysfunction such as schizophrenia, and a disease such as anxiety and drug addition.

  化合物的化学式为（I）或其药学上可接受的盐，其中：R1代表分支的低碳原子数为3至9的烷基或类似物；R2代表含有1或2个氮原子的6元杂环芳基或类似物；R3代表氢原子，烷酰胺基或类似物；R4代表氢原子，低碳原子数的烷基或类似物；X1代表氧原子或硫原子；X2代表氧原子或单键；m表示0至4的整数。该化合物具有代谢型谷氨酸受体1的抑制作用，因此可用于治疗脑部疾病，如惊厥、急性疼痛、炎性疼痛、慢性疼痛、脑梗塞或短暂性脑缺血发作、精神障碍如精神分裂症以及焦虑和药物成瘾等疾病。
• 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1870401A1

  公开（公告）日：2007-12-26

  A compound represented by the formula (I): or a pharmaceutically acceptable salt thereof, wherein: R1 represents a branched lower alkyl group having from 3 to 9 carbon atoms or the like; R2 represents a 6-membered heteroaryl group having 1 or 2 nitrogen atoms or the like; R3 represents a hydrogen atom, an alkanoylamino group or the like; R4 represents a hydrogen atom, a lower alkyl group or the like; X1 represents an oxygen atom or a sulfur atom; X2 represents an oxygen atom or a single bond; and m indicates an integer of from 0 to 4. This compound has a metabotropic glutamate receptor 1 inhibitory effect, and therefore is useful for the treatment of a brain disorder such as convulsion, acute pain, inflammatory pain, chronic pain, cerebral infraction or transient cerebral ischemic attack, a mental dysfunction such as schizophrenia, and a disease such as anxiety and drug addition.

  式 (I) 所代表的化合物： 或其药学上可接受的盐，其中 R1 代表具有 3 至 9 个碳原子的支链低级烷基或类似基团； R2 代表具有 1 或 2 个氮原子的 6 元杂芳基或类似基团 R3 代表氢原子、烷酰氨基或类似物； R4 代表氢原子、低级烷基或类似物； X1 代表氧原子或硫原子； X2 代表氧原子或单键；以及 m 表示 0 至 4 的整数。 该化合物具有代谢型谷氨酸受体 1 抑制作用，因此可用于治疗抽搐、急性疼痛、炎症性疼痛、慢性疼痛、脑梗塞或短暂性脑缺血发作等脑部疾病，精神分裂症等精神功能障碍，以及焦虑和药物成瘾等疾病。
• 3,5-DISUBSTITUTED- 1,2,4 -OXADIAZOLES AND ANALOGS AS AC TIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF
  申请人：Cytovia, Inc.

  公开号：EP1581213A1

  公开（公告）日：2005-10-05