3,4-dichloro-N-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide | 1261289-09-1

• 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: 3,4-dichloro-N-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
• CAS: 1261289-09-1
• 化学式: C₁₆H₁₀Cl₂FN₃O₂S
• 分子量: 398.245
• InChiKey: FSHRXYMLLSKYGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  87.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-amino-2-(4-fluorobenzyl)-[1,2,4]thiadiazol-3-one 、 3,4-二氯苯甲酰氯 在 吡啶 作用下， 以 乙腈 为溶剂， 生成 3,4-dichloro-N-[2-[(4-fluorophenyl)methyl]-3-oxo-1,2,4-thiadiazol-5-yl]benzamide
  参考文献：
  名称：

  [EN] 1, 2, 4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER
  [FR] COMPOSÉS UTILISÉS EN TANT QUE MÉDICAMENTS

  摘要：

  公开号：

  WO2011004162A3

文献信息

• 1,2,4-THIAZOLOIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Westman Jacob

  公开号：US20120183537A1

  公开（公告）日：2012-07-19

  According to the invention there is provided a compound of formula (I) wherein: A represents C(═N—W-D) or S; B represents S or C(—NH—W-D); when: A represents C(═N—W-D) and B represents S then the bond between B and the NH atom is a single bond; or A represents S and B represents C(—NH—W-D) then the bond between B and the NH atom is a double bond; X represents -Q-[CR x R y ] n —; W represents —[CR x R y ] m — or —C(O)—[CR x R y ] p —; Q represents a bond, —N(R a )—, —S—, or —O—; A 1 to A 5 respectively represent C(R 1 ), C(R 2 ), C(R 3 ), C(R 4 ) and C(R 5 ), or, alternatively, up to two of A 1 to A 5 may independently represent N; D represents phenyl, pyridyl or pyrimidinyl optionally substituted by one or more R 6 groups, which compounds are useful in the treatment of cancer.

  根据发明提供了一种化合物，其化学式为(I)，其中：A代表C(═N—W-D)或S；B代表S或C(—NH—W-D)；当：A代表C(═N—W-D)且B代表S时，B和NH原子之间的键为单键；或者A代表S且B代表C(—NH—W-D)时，B和NH原子之间的键为双键；X代表-Q-[CRxRy]n—；W代表—[CRxRy]m—或—C(O)—[CRxRy]p—；Q代表键，—N(Ra)—，—S—或—O—；A1至A5分别代表C(R1)、C(R2)、C(R3)、C(R4)和C(R5)，或者，最多两个A1至A5可以独立地代表N；D代表苯基、吡啶基或嘧啶基，可选择地被一个或多个R6基团取代，这些化合物在癌症治疗中有用。
• 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：Baltic Bio AB

  公开号：US20160128993A1

  公开（公告）日：2016-05-12

  According to the invention there is provided a compound of formula (I) wherein: A represents C(═N—W-D) or S; B represents S or C(—NH—W-D); when: A represents C(═N—W-D) and B represents S then the bond between B and the NH atom is a single bond; or A represents S and B represents C(—NH—W-D) then the bond between B and the NH atom is a double bond; X represents -Q-[CR x R y ] n —; W represents —[CR x R y ] m — or —C(O)—[CR x R y ] p —; Q represents a bond, —N(R a )—; —S—, or —O—; A 1 to A 5 respectively represent C(R 1 ), C(R 2 ), C(R 3 ), C(R 4 ) and C(R 5 ), or, alternatively, up to two of A 1 to A 5 may independently represent N; D represents phenyl, pyridyl or pyrimidinyl optionally substituted by one or more R 6 groups, which compounds are useful in the treatment of cancer.

  根据本发明提供一种化合物，其化学式为(I)，其中：A代表C(═N—W-D)或S；B代表S或C(—NH—W-D)；当：A代表C(═N—W-D)且B代表S时，B与NH原子之间的键为单键；或A代表S且B代表C(—NH—W-D)时，B与NH原子之间的键为双键；X代表-Q-[CRxRy]n—；W代表—[CRxRy]m—或—C(O)—[CRxRy]p—；Q代表键，—N(Ra)—；—S—；或—O—；A1到A5分别代表C(R1)、C(R2)、C(R3)、C(R4)和C(R5)，或者，最多两个A1到A5可以独立地代表N；D代表苯基、吡啶基或嘧啶基，可以选择地被一个或多个R6基团取代，这些化合物在癌症治疗中有用。
• US9162994B2
  申请人：——

  公开号：US9162994B2

  公开（公告）日：2015-10-20
• US9675596B2
  申请人：——

  公开号：US9675596B2

  公开（公告）日：2017-06-13
• [EN] COMPOUNDS USEFUL AS MEDICAMENTS<br/>[FR] COMPOSÉS UTILISÉS EN TANT QUE MÉDICAMENTS
  申请人：BETAGENON AB

  公开号：WO2011004162A2

  公开（公告）日：2011-01-13

  According to the invention there is provided a compound of formula (I) wherein: A represents C(=N-W-D) or S; B represents S or C(-NH-W-D); when: A represents C(=N-W-D) and B represents S then the bond between B and the NH atom is a single bond; or A represents S and B represents C(-NH-W-D) then the bond between B and the NH atom is a double bond; X represents -Q-[CRxRy]n-; W represents -[CRxRy]m- or -C(O)-[CRxRy]p-; Q represents a bond, -N(Ra)-, -S-, or -O-; A1 to A5 respectively represent C(R1), C(R2), C(R3), C(R4) and C(R5), or, alternatively, up to two of A1 to A5 may independently represent N; D represents phenyl, pyridyl or pyrimidinyl optionally substituted by one or more R6 groups, which compounds are useful in the treatment of cancer.