N-(4-(2,2-dimethylpropionyl)-5-[2-(N-ethyl-N-hydroxyamino)ethanesulfonylaminomethyl]-5-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-2,2-dimethylpropionamide

• 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: N-(4-(2,2-dimethylpropionyl)-5-[2-(N-ethyl-N-hydroxyamino)ethanesulfonylaminomethyl]-5-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-2,2-dimethylpropionamide
• 英文别名: N-[4-(2,2-dimethylpropanoyl)-5-[[2-[ethyl(hydroxy)amino]ethylsulfonylamino]methyl]-5-phenyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
• 化学式: C₂₃H₃₇N₅O₅S₂
• 分子量: 527.709
• InChiKey: ITKQMYDXAMSUNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  165
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(5-苯基-4-新戊酰基-5-(乙烯基磺酰氨基甲基)-4,5-二氢-1,3,4-噻二唑-2-基) 在 羟胺 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 水 、 1,2-二氯乙烷 、 乙腈 为溶剂， 反应 1.67h， 生成 N-(4-(2,2-dimethylpropionyl)-5-[2-(N-ethyl-N-hydroxyamino)ethanesulfonylaminomethyl]-5-phenyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-2,2-dimethylpropionamide
  参考文献：
  名称：

  EP1870404

  摘要：

  公开号：

文献信息

• Therapeutic Agent For Solid Tumor
  申请人：Murakata Chikara

  公开号：US20080194653A1

  公开（公告）日：2008-08-14

  A therapeutic and/or prophylactic agent for a solid tumor, which comprises a thiadiazoline derivative represented by the general formula (I), or a pharmaceutically acceptable salt thereof: [wherein, n represents an integer of 1 to 3, R 1 represents a hydrogen atom, R 2 represents lower alkyl, or R 1 and R 2 are combined together to represent alkylene, R 3 represents lower alkyl, R 4 represents NHSO 2 R 6 (wherein R 6 represents hydroxy or the like) or the like, and R 5 represents aryl or the like] and the like are provided.

  本发明提供了一种治疗和/或预防实体肿瘤的治疗剂和/或预防剂，其包括由通式（I）表示的噻二唑啉衍生物或其药学上可接受的盐：[其中，n表示1至3的整数，R1表示氢原子，R2表示较低的烷基，或R1和R2结合在一起表示烷基，R3表示较低的烷基，R4表示NHSO2R6（其中R6表示羟基或类似物）或类似物，R5表示芳基或类似物]。
• Therapeutic Agent for Hematopoietic Tumor
  申请人：Nakai Ryuichiro

  公开号：US20080262049A1

  公开（公告）日：2008-10-23

  A therapeutic and/or prophylactic agent for a hematopoietic tumor, which comprises a thiadiazoline derivative represented by the general formula (I), or a pharmaceutically acceptable salt thereof: [Formula 1] [wherein, n represents an integer of 1 to 3, R 1 represents a hydrogen atom, R 2 represents lower alkyl, or R 1 and R 2 are combined together to represent alkylene, R 3 represents lower alkyl, R 4 represents NHSO 2 R 6 (wherein R 6 represents hydroxy or the like) or the like, and R 5 represents aryl or the like] and the like are provided.

  提供一种治疗和/或预防造血肿瘤的药物，其包括由通式（I）表示的噻二唑啉衍生物或其药学上可接受的盐：[公式1] [其中，n表示1至3的整数，R1表示氢原子，R2表示较低的烷基，或R1和R2结合在一起表示烷基，R3表示较低的烷基，R4表示NHSO2R6（其中R6表示羟基或类似物）或类似物，R5表示芳基或类似物]。
• Therapeutic Agent for Restenosis
  申请人：Nakai Ryuichiro

  公开号：US20100029625A1

  公开（公告）日：2010-02-04

  A therapeutic and/or prophylactic agent for restenosis, which comprises a thiadiazoline derivative represented by the general formula (0), or a pharmaceutically acceptable salt thereof: [wherein, n represents an integer of 1 to 3, R 0 represents aryl, —NR 1 CONR 2 (wherein R 1 represents a hydrogen atom or the like, and R 2 represents lower alkyl or the like) or the like, R 3 represents lower alkyl, R 4 represents a hydrogen atom or the like, and R 5 represents aryl or the like].

  治疗和/或预防再狭窄的治疗剂和/或预防剂，包括由下式所表示的噻二唑啉衍生物或其药学上可接受的盐：[式中，n代表1到3的整数，R0代表芳基，—NR1CONR2（其中R1代表氢原子或类似物，R2代表低碳基或类似物）或类似物，R3代表低碳基，R4代表氢原子或类似物，R5代表芳基或类似物]。
• AGENT FOR TREATMENT OF SOLID TUMOR
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1867640A1

  公开（公告）日：2007-12-19

  A therapeutic and/or prophylactic agent for a solid tumor, which comprises a thiadiazoline derivative represented by the general formula (I), or a pharmaceutically acceptable salt thereof: [wherein, n represents an integer of 1 to 3, R1 represents a hydrogen atom, R2 represents lower alkyl, or R1 and R2 are combined together to represent alkylene, R3 represents lower alkyl, R4 represents NHSO2R6 (wherein R6 represents hydroxy or the like) or the like, and R5 represents aryl or the like] and the like are provided.

  一种治疗和/或预防实体瘤的药物，由通式（I）代表的噻二唑啉衍生物或其药学上可接受的盐组成： [其中，n 代表 1 至 3 的整数，R1 代表氢原子，R2 代表低级烷基，或 R1 和 R2 结合在一起代表亚烷基，R3 代表低级烷基，R4 代表 NHSO2R6（其中 R6 代表羟基或类似物）或类似物，以及 R5 代表芳基或类似物]等。
• AGENT FOR TREATMENT OF HEMATOPOIETIC TUMOR
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1870404A1

  公开（公告）日：2007-12-26

  A therapeutic and/or prophylactic agent for a hematopoietic tumor, which comprises a thiadiazoline derivative represented by the general formula (I), or a pharmaceutically acceptable salt thereof: [wherein, n represents an integer of 1 to 3, R1 represents a hydrogen atom, R2 represents lower alkyl, or R1 and R2 are combined together to represent alkylene, R3 represents lower alkyl, R4 represents NHSO2R6 (wherein R6 represents hydroxy or the like) or the like, and R5 represents aryl or the like] and the like are provided.

  一种治疗和/或预防造血肿瘤的药物，它包括通式（I）所代表的噻二唑啉衍生物或其药学上可接受的盐： [其中，n 代表 1 至 3 的整数，R1 代表氢原子，R2 代表低级烷基，或 R1 和 R2 结合在一起代表亚烷基，R3 代表低级烷基，R4 代表 NHSO2R6（其中 R6 代表羟基或类似物）或类似物，以及 R5 代表芳基或类似物]等。