5-nitroso-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine | 51511-27-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: 5-nitroso-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine
• 英文别名: 2,3,4,5-Tetrahydro-5-nitroso-1,5-benzothiazepin；2,3,4,5-tetrahydro-5-nitroso-1,5-benzothiazepine；5-nitroso-3,4-dihydro-2H-1,5-benzothiazepine
• CAS: 51511-27-4
• 化学式: C₉H₁₀N₂OS
• 分子量: 194.257
• InChiKey: FGZWREPUPMWUAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-nitroso-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine 在 溶剂黄146 、 锌 作用下， 以 甲醇 为溶剂， 生成 3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-amine
  参考文献：
  名称：

  2,3,4,5-四氢-1,5-苯并（和thi）氮杂s的合成及其在制备缩合吲哚中的用途

  摘要：

  DOI：

  10.1007/bf00471304
• 作为产物：
  描述：

  2,3,4,5-Tetrahydro-1,5-benzothiazepin hydrochloride 在 硫酸 、 sodium nitrite 作用下， 生成 5-nitroso-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine
  参考文献：
  名称：

  2,3,4,5-四氢-1,5-苯并（和thi）氮杂s的合成及其在制备缩合吲哚中的用途

  摘要：

  DOI：

  10.1007/bf00471304

文献信息

• TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF
  申请人：Vanderbilt University

  公开号：US20160106731A1

  公开（公告）日：2016-04-21

  The present invention provides for compounds that inhibit the activity of an anti-apoptotic Bcl-2 family member Myeloid cell leukemia-1 (Mcl-1) protein. The present invention also provides for pharmaceutical compositions as well as methods for using compounds for treatment of diseases and conditions (e.g., cancer) characterized by the over-expression or dysregulation of Mcl-1 protein.

  本发明提供了一种抑制抗凋亡Bcl-2家族成员髓样细胞白血病-1（Mcl-1）蛋白活性的化合物。本发明还提供了用于治疗由Mcl-1蛋白过度表达或失调所特征的疾病和病况（例如癌症）的药物组合物以及使用化合物的方法。
• Pyridopyrrolobenzheterocycles
  申请人：Endo Laboratories, Inc.

  公开号：US04183936A1

  公开（公告）日：1980-01-15

  ##STR1## where X is O, S, S.fwdarw.O, or SO.sub.2 ; n is 0 or 1; m is 0 or 1; the R's are the same or different and are H or CH.sub.3, and one of them can be C.sub.2 -C.sub.9 alkyl, phenyl, C.sub.7 -C.sub.10 phenylalkyl, furyl, thienyl, pyridyl or substituted phenyl or phenylalkyl; when X is S, and m is 0, one R in the group --RCR-- can be OCH.sub.3 ; when X is S and m is 1, the R in the group (CHR).sub.m can be OCH.sub.3 ; and R.sup.1 is H, C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.2 -C.sub.4 alkoxycarbonyl, trifluoroacetyl, or substituted C.sub.1 -C.sub.4 alkyl where the substituent is C.sub.3 -C.sub.6 cycloalkyl, phenyl or substituted phenyl; and their pharmaceutically suitable salts. The compounds are useful as sedatives; some of them also exhibit antidepressant, antihypertensive and antibacterial activity. The compounds are prepared by cyclizing compounds of formula II ##STR2## wherein R.sup.2 is R.sup.1 or acyl. The latter compounds are prepared by reacting 4-piperidones with compounds of formula III in the presence of a reducing agent ##STR3## or with compounds of formula VI ##STR4##

  该化合物具有以下结构式：##STR1##其中X为O、S、S.fwdarw.O或SO.sub.2；n为0或1；m为0或1；R的取值相同或不同，为H或CH.sub.3，其中一个可以是C.sub.2-C.sub.9烷基、苯基、C.sub.7-C.sub.10苯基烷基、呋喃基、噻吩基、吡啶基或取代的苯基或苯基烷基；当X为S且m为0时，群组--RCR--中的一个R可以是OCH.sub.3；当X为S且m为1时，群组（CHR）.sub.m中的R可以是OCH.sub.3；R.sup.1为H、C.sub.1-C.sub.4烷基、C.sub.3-C.sub.5烯基、C.sub.3-C.sub.5炔基、C.sub.3-C.sub.6环烷基、C.sub.2-C.sub.4烷氧羰基、三氟乙酰基或取代的C.sub.1-C.sub.4烷基，其中取代基为C.sub.3-C.sub.6环烷基、苯基或取代的苯基；以及其药学上合适的盐。这些化合物有镇静作用；其中一些还具有抗抑郁、降压和抗菌活性。这些化合物通过环化式II的化合物制备而成：##STR2##其中R.sup.2为R.sup.1或酰基。后者的化合物通过在还原剂的存在下将4-哌啶酮与式III的化合物反应而制备得到：##STR3##或与式VI的化合物反应而制备得到：##STR4##
• Pyridopyrrolobenzoxazine
  申请人：Endo Laboratories, Inc.

  公开号：US04013652A1

  公开（公告）日：1977-03-22

  Compounds of the formula: ##STR1## where 2 THE R's are the same or different and are H or CH.sub.3, and one of them can be C.sub.2 -C.sub.9 alkyl or phenyl; R.sup.1 is hydrogen, C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.2l -C.sub.4 alkoxycarbonyl, or substituted C.sub.1 -C.sub.4 alkyl where the substituent is C.sub.3 -C.sub.6 cycloalkyl or phenyl; and Z is H, Cl or CH.sub.3 ; and their pharmaceutically suitable salts. The compounds are useful as sedatives; some of them also exhibit antidepressant activity.

  化合物的式子为：##STR1## 其中2个R相同或不同，可以是H或CH.sub.3，其中一个可以是C.sub.2-C.sub.9烷基或苯基；R.sup.1是氢，C.sub.1-C.sub.4烷基，C.sub.3-C.sub.6环烷基，C.sub.2l-C.sub.4烷氧羰基或取代的C.sub.1-C.sub.4烷基，其中取代基为C.sub.3-C.sub.6环烷基或苯基；Z为H，Cl或CH.sub.3；以及它们的药物适用盐。这些化合物可用作镇静剂；其中一些还具有抗抑郁活性。
• Pyridopyrrolo benzheterocycles
  申请人：Endo Laboratories Inc.

  公开号：US04238607A1

  公开（公告）日：1980-12-09

  ##STR1## where X is 0, S, S.fwdarw.O, or SO.sub.2 ; n is 0 or 1; m is 0 or 1; the R's are the same or different and are H or CH.sub.3, and one of them can be C.sub.2 -C.sub.9 alkyl, phenyl, C.sub.7 -C.sub.10 phenylalkyl, furyl, thienyl, pyridyl or substituted phenyl or phenylalkyl; when X is S, and m is 0, one R in the group --RCR-- can be OCH.sub.3 ; when X is S and m is 1, the R in the group (CHR).sub.m can be OCH.sub.3 ; and R.sup.1 is H, C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.5 alkenyl, C.sub.3 -C.sub.5 alkynyl, C.sub.3 -C.sub.6 cycloalkyl, C.sub.2 -C.sub.4 alkoxycarbonyl, trifluoroacetyl, or substituted C.sub.1 -C.sub.4 alkyl where the substituent is C.sub.3 -C.sub.6 cycloalkyl, phenyl or substituted phenyl; and their pharmaceutically suitable salts. The compounds are useful as sedatives; some of them also exhibit antidepressant, antihypertensive and antibacterial activity. The compounds are prepared by cyclizing compounds of formula II ##STR2## wherein R.sup.2 is R.sup.1 or acyl. The latter compounds are prepared by reacting 4-piperidones with compounds of formula III in the presence of a reducing agent ##STR3## or with compounds of formula VI ##STR4##

  该文本描述了一系列具有药理活性的化合物及其制备方法。这些化合物的通式为I，其中X为0、S、S.fwdarw.O或SO.sub.2；n为0或1；m为0或1；R为H或CH.sub.3，其中一个可以是C.sub.2-C.sub.9烷基、苯基、C.sub.7-C.sub.10苯基烷基、呋喃基、噻吩基、吡啶基或取代苯基或苯基烷基；当X为S且m为0时，--RCR--中的一个R可以是OCH.sub.3；当X为S且m为1时，(CHR).sub.m中的R可以是OCH.sub.3；R.sup.1为H、C.sub.1-C.sub.4烷基、C.sub.3-C.sub.5烯基、C.sub.3-C.sub.5炔基、C.sub.3-C.sub.6环烷基、C.sub.2-C.sub.4烷氧羰基、三氟乙酰基或取代C.sub.1-C.sub.4烷基，其中取代基为C.sub.3-C.sub.6环烷基、苯基或取代苯基；以及它们的药学上适用的盐。这些化合物可用作镇静剂；其中一些还具有抗抑郁、降压和抗菌活性。这些化合物通过将通式II的化合物环化制备而成，其中R.sup.2为R.sup.1或酰基。后一类化合物通过在还原剂的存在下将4-哌啶酮与通式III的化合物反应或与通式VI的化合物反应制备而成。
• Substituted heterocycle fused gamma-carbolines
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：US06713471B1

  公开（公告）日：2004-03-30

  The present invention is directed to certain novel compounds represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R1, R5, R6a, R6b, R7, R8, R9, X, b, k, m, and n, and the dashed lines are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine, conditions associated with cephalic pain, social phobias, and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.

  本发明涉及由结构式（I）表示的某些新化合物或其药学上可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线在本文中描述。本发明还涉及包含这些新化合物作为活性成分的药物制剂以及利用这些新化合物及其制剂治疗某些疾病。本发明的化合物是5-羟色胺激动剂和拮抗剂，可用于控制或预防中枢神经系统疾病，包括肥胖症、焦虑症、抑郁症、精神病、精神分裂症、睡眠障碍、性功能障碍、偏头痛、头痛相关疾病、社交恐惧症以及胃肠道疾病，如胃肠道运动功能障碍。