3-bromomethyltetrahydrothiopyran | 130602-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: 3-bromomethyltetrahydrothiopyran
• 英文别名: 3-bromomethyltetrahydrothiapyran；3-(bromomethyl)thiane
• CAS: 130602-53-8
• 化学式: C₆H₁₁BrS
• 分子量: 195.123
• InChiKey: YXCCLLOXOQRJHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-chloro-2-(4-chlorophenyl)-thieno[2,3-d]pyridazine-7-carboxylic acid ethyl ester 、 3-bromomethyltetrahydrothiopyran 在 copper(l) chloride 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride iron(III) chloride 、 diethylzinc 作用下， 以 N,N-二甲基丙烯基脲 、 四氢呋喃 为溶剂， 反应 4.75h， 生成 2-(4-chlorophenyl)-4-(3-tetrahydrothiopyran-methyl)-thieno[2,3-d]pyridazine-7-carboxylic acid ethyl ester
  参考文献：
  名称：

  THIENOPYRIDAZINE COMPOUNDS, THEIR PREPARATIONS, PHARMACEUTICAL COMPOSITIONS AND USES

  摘要：

  公开号：

  EP2241569B1

文献信息

• Novel Compounds and Therapeutic Use Thereof for Protein Kinase Inhibition
  申请人：Wu Zhanggui

  公开号：US20090275585A1

  公开（公告）日：2009-11-05

  Novel compound having the following formula: Also disclosed are a pharmaceutical compositions comprising the same, methods for treating cancer using the same, and methods for the synthesis of the same. The novel compounds of the present invention are found to inhibit protein kinases, especially Checkpoint kinase Chk1/Chk2.

  具有以下化学式的新化合物：还披露了包含相同化合物的药物组合物，使用该化合物治疗癌症的方法，以及合成该化合物的方法。本发明的新化合物被发现抑制蛋白激酶，特别是检查点激酶Chk1/Chk2。
• Tetrahydroindazoles with a phenyl ether structures, herbicidal
  申请人：——

  公开号：US05167690A1

  公开（公告）日：1992-12-01

  N-(Phenyl)-tetrahydroindazole derivatives of the general formula Ia and Ib ##STR1## where R.sup.1 is halogen; R.sup.2 C.sub.1 -C.sub.6 -alkoxycarbonyl-C.sub.3 -C.sub.5 -alkenyl or C.sub.1 -C.sub.3 -alkyl which is substituted in the 1- or 2-position by C.sub.1 -C.sub.6 -alkoxycarbonyl or a 5-or 6-membered saturated or monounsaturated heterocycle which contains one oxygen or sulfur as heteroatom and can be substituted by rom one to four C.sub.1 -C.sub.4 -alkyls, and R.sup.3 is C.sub.2 -C.sub.7 -alkyl, C.sub.3 -C.sub.6 -C.sub.3 -C.sub.6 -alkynyl, C.sub.1 -C.sub.6 -alkoxycarbonyl-C.sub.3 -C.sub.5 -alkenyl or C.sub.1 -C.sub.3 -alkyl which is substituted in the 1-or 2-position by C.sub.1 -C.sub.6 -alkoxycarbonyl or a 5- or 6-membered saturated or monounsaturated heterocycle which contains one oxygen or sulfur as heteroatom and can be substituted by from one to four C.sub.1 -C.sub.4 -alkyls, their manufacture and their use.

  一般式Ia和Ib的N-(苯基)-四氢吲唑衍生物，其中R.sup.1是卤素；R.sup.2是C.sub.1-C.sub.6-烷氧羰基-C.sub.3-C.sub.5-烯基或C.sub.1-C.sub.3-烷基，其在1-或2-位被C.sub.1-C.sub.6-烷氧羰基或含有一个氧或硫杂原子的5-或6-成员饱和或单不饱和杂环取代，且可被1至4个C.sub.1-C.sub.4-烷基取代；R.sup.3是C.sub.2-C.sub.7-烷基、C.sub.3-C.sub.6-炔基、C.sub.1-C.sub.6-烷氧羰基-C.sub.3-C.sub.5-烯基或C.sub.1-C.sub.3-烷基，其在1-或2-位被C.sub.1-C.sub.6-烷氧羰基或含有一个氧或硫杂原子的5-或6-成员饱和或单不饱和杂环取代，且可被1至4个C.sub.1-C.sub.4-烷基取代，其制造和使用。
• Tetrahydroindazoles with a phenyl ether structure, compositions and use
  申请人：BASF Aktiengesellschaft

  公开号：US05112383A1

  公开（公告）日：1992-05-12

  N-(Phenyl)-tetrahydroindazole derivatives of the general formula 1a and 1b ##STR1## where R.sup.1 is halogen; R.sup.2 is C.sub.1 -C.sub.6 -alkoxycarbonyl-C.sub.3 -C.sub.5 -alkenyl or C.sub.1 -C.sub.3 -alkyl which is substituted in the 1- or 2-position by C.sub.1 -C.sub.6 -alkoxycarbonyl or a 5- or 6-membered saturated or monounsaturated heterocycle which contains one oxygen or sulfur as heteroatom and can be substituted by from one to four C.sub.1 -C.sub.4 -alkyls, and R.sup.3 is C.sub.2 -C.sub.7 -alkyl, C.sub.3 -C.sub.6 -alkenyl, C.sub.3 -C.sub.6 -alkynyl, C.sub.1 -C.sub.6 -alkoxycarbonyl-C.sub.3 -C.sub.5 -alkenyl or C.sub.1 -C.sub.3 -alkyl which is substituted in the 1- or 2-position by C.sub.1 -C.sub.6 -alkoxycarbonyl or a 5- or 6-membered saturated or monounsaturated heterocycle which contains one oxygen or sulfur as heteroatom and can be substituted by from one to four C.sub.1 -C.sub.4 -alkyls, their manufacture and their herbicidal use.

  这是一种N-(苯基)-四氢吲唑衍生物，其一般式为1a和1b，其中R.sup.1是卤素；R.sup.2是C.sub.1-C.sub.6-烷氧羰基-C.sub.3-C.sub.5-烯基或C.sub.1-C.sub.3-烷基，在1-或2-位被C.sub.1-C.sub.6-烷氧羰基或含有一个氧或硫杂原子并且可以被1-4个C.sub.1-C.sub.4-烷基取代的5-或6-成员饱和或单不饱和杂环取代；R.sup.3是C.sub.2-C.sub.7-烷基，C.sub.3-C.sub.6-烯基，C.sub.3-C.sub.6-炔基，C.sub.1-C.sub.6-烷氧羰基-C.sub.3-C.sub.5-烯基或C.sub.1-C.sub.3-烷基，在1-或2-位被C.sub.1-C.sub.6-烷氧羰基或含有一个氧或硫杂原子并且可以被1-4个C.sub.1-C.sub.4-烷基取代的5-或6-成员饱和或单不饱和杂环取代。该化合物的制备方法和除草剂用途。
• NOVEL COMPOUNDS AND THERAPEUTIC USE THEREOF FOR PROTEIN KINASE INHIBITION
  申请人：WU Zhanggui

  公开号：US20130143887A1

  公开（公告）日：2013-06-06

  Novel compound having the following formula: Also disclosed are a pharmaceutical compositions comprising the same, methods for treating cancer using the same, and methods for the synthesis of the same. The novel compounds of the present invention are found to inhibit protein kinases, especially Checkpoint kinase Chk1/Chk2.

  本发明公开了具有以下结构式的新型化合物：同时还公开了包含该化合物的制药组合物，使用该化合物治疗癌症的方法，以及合成该化合物的方法。本发明的新型化合物发现能够抑制蛋白激酶，特别是检查点激酶Chk1 / Chk2。
• Thienopyridazine Compounds, Their Preparations, Pharmaceutical Compositions And Uses
  申请人：Wu Zhanggui

  公开号：US20110009415A1

  公开（公告）日：2011-01-13

  The present invention relates to thienopyridazine compounds of formula (I), their pharmaceutically acceptable salts or hydrates, wherein R1 and R2 are independently H or C1-4 alkyl, R3 is a saturated or unsaturated 5- or 6-membered ring containing N, S or O, or its optical isomers, R4 is a halophenyl monosubstituted or disubstituted at any position. The present invention provides the preparation methods of these compounds, pharmaceutical compositions containing these compounds and the uses of these compounds, particularly in treating cancer.

  本发明涉及公式（I）的噻唑并嘧啶化合物、其药学上可接受的盐或水合物，其中R1和R2独立地为H或C1-4烷基，R3为含有N、S或O的饱和或不饱和的5或6元环，或其光学异构体，R4为在任何位置单取代或双取代的卤代苯基。本发明提供了这些化合物的制备方法、包含这些化合物的药物组合物以及这些化合物的用途，特别是在治疗癌症方面的用途。