benzo[d]thiazol-2-ylmethyl methanesulfonate | 191800-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: benzo[d]thiazol-2-ylmethyl methanesulfonate
• 英文别名: 1,3-benzothiazol-2-ylmethyl methanesulfonate；1,3-Benzothiazol-2-ylmethyl methanesulfonate
• CAS: 191800-32-5
• 化学式: C₉H₉NO₃S₂
• 分子量: 243.307
• InChiKey: YICCXYBCXWVXKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  92.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzo[d]thiazol-2-ylmethyl methanesulfonate 在 palladium on activated charcoal 、 氢气 、 triethylamine tris(hydrogen fluoride) 、 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 30.0 ℃ 、103.42 kPa 条件下， 反应 26.5h， 生成 (S,E)-2-hydroxyethyl (1-((1-(benzo[d]thiazol-2-ylmethyl)-2-oxo-1,2-dihydropyridin-3-yl)amino)-7-(dimethylamino)-1,7-dioxohept-5-en-2-yl)carbamate
  参考文献：
  名称：

  WO2020033784A5

  摘要：

  公开号：

  WO2020033784A5
• 作为产物：
  描述：

  1,3-苯并噻唑-2-羧酸乙酯 在 甲醇 、 sodium tetrahydroborate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 benzo[d]thiazol-2-ylmethyl methanesulfonate
  参考文献：
  名称：

  WO2020033784A5

  摘要：

  公开号：

  WO2020033784A5

文献信息

• (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE
  申请人：MSD K.K.

  公开号：EP2319841A1

  公开（公告）日：2011-05-11

  Disclosed are a compound of a formula (I) and its pharmaceutically-acceptable salt: wherein Q is CH or N; R1a, R1b, R1c and R1d are independently a C1-6 alkyl, a halo-C1-6 alkyl, etc.; R2 is a hydrogen atom, etc.; R3 is independently a hydrogen atom, a C1-6 alkyl, etc., or two R3'S, taken together, form a bridge such as methylene, etc.; R4 and R4b are independently a hydrogen atom, a C1-6 alkyl, etc.; Z is a bicyclic aromatic hetero ring, etc.; Ar is a benzene ring, etc.; m1 and m2 are independently 0, 1 or 2; n is an integer of from 1 to 4. The compound and its salt act as a melanin concentrating hormone receptor antagonist, and are useful as a preventive or remedy for central system disorders, cardiovascular disorders, metabolic disorders, etc.

  本发明公开了一种具有化学式（I）及其药用可接受盐的化合物：其中Q为CH或N；R1a、R1b、R1c和R1d独立地为C1-6烷基、卤代C1-6烷基等；R2为氢原子等；R3独立地为氢原子、C1-6烷基等，或两个R3'结合在一起形成例如亚甲基等的桥；R4和R4b独立地为氢原子、C1-6烷基等；Z为双环芳香杂环、等；Ar为苯环等；m1和m2独立地为0、1或2；n为1至4的整数。该化合物及其盐作为黑色素浓集激素受体拮抗剂，并且可用作中枢系统紊乱、心血管紊乱、代谢紊乱等的预防或治疗。
• 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE
  申请人：Kishino Hiroyuki

  公开号：US20110124674A1

  公开（公告）日：2011-05-26

  Disclosed are a compound of a formula (I) and its pharmaceutically-acceptable salt: wherein Q is CH or N; R 1a , R 1b , R 1c and R 1d are independently a C 1-6 alkyl, a halo-C 1-6 alkyl, etc.; R 2 is a hydrogen atom, etc.; R 3 is independently a hydrogen atom, a C 1-6 alkyl, etc., or two R 3 's, taken together, form a bridge such as methylene, etc.; R 4a and R 4b are independently a hydrogen atom, a C 1-6 alkyl, etc.; Z is a bicyclic aromatic hetero ring, etc.; Ar is a benzene ring, etc.; m1 and m2 are independently 0, 1 or 2; n is an integer of from 1 to 4. The compound and its salt act as a melanin concentrating hormone receptor antagonist, and are useful as a preventive or remedy for central system disorders, cardiovascular disorders, metabolic disorders, etc.

  本发明公开了一种化合物及其药学上可接受的盐，其化学式为（I）： 其中，Q是CH或N；R1a，R1b，R1c和R1d独立地表示C1-6烷基，卤代C1-6烷基等；R2是氢原子等；R3独立地表示氢原子，C1-6烷基等，或者两个R3共同形成例如亚甲基等的桥；R4a和R4b独立地表示氢原子，C1-6烷基等；Z是双环芳香杂环，等；Ar是苯环等；m1和m2独立地表示0、1或2；n是1至4的整数。该化合物及其盐作为黑色素浓集激素受体拮抗剂，可用于预防或治疗中枢系统疾病、心血管疾病、代谢性疾病等。
• TRANSGLUTAMINASE 2 (TG2) INHIBITORS
  申请人：SITARI PHARMA, INC

  公开号：EP3833348A1

  公开（公告）日：2021-06-16
• [EN] TRANSGLUTAMINASE 2 (TG2) INHIBITORS<br/>[FR] INHIBITEURS DE TRANSGLUTAMINASE 2 (TG2)
  申请人：SITARI PHARMA INC

  公开号：WO2020033784A1

  公开（公告）日：2020-02-13

  Described herein are compounds and pharmaceutical compositions containing such compounds which inhibit transglutaminase 2 (TG2). Also described herein are methods for using such TG2 inhibitors, alone or in combination with other compounds, for treating diseases or conditions that would benefit from TG2 inhibition.