4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine | 145903-18-0

• 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: 4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
• 英文别名: 1-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)prop-2-en-1-one；1-(7-Methoxy-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)prop-2-en-1-one；1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one
• CAS: 145903-18-0
• 化学式: C₁₃H₁₅NO₂S
• 分子量: 249.334
• InChiKey: SBEQDBRASWIIOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  54.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine 在 磺酰氯 作用下， 生成 4-acryloyl-2-chloro-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
  参考文献：
  名称：

  1,4-benzothiazepine derivatives

  摘要：

  本发明的一个目的是提供具有心肌KD（动力细胞死亡）抑制作用的化合物，而不伴随心脏抑制作用。以下式[I]所代表的1,4-苯并噻吩衍生物：其中取代基的各个基团定义如下：R代表H或C.sub.1 -C.sub.3较低的烷氧基团；X代表O或H.sub.2；n代表1或2；R.sup.1代表H，一个取代的苯基团，其中取代基团为OH或C.sub.1 -C.sub.3较低的烷氧基团，##STR2##一个C.sub.1 -C.sub.3较低的烷氧基团，##STR3##其中R.sup.2代表一个C.sub.1 -C.sub.3酰基团，ph代表一个苯基团，或其药用盐。

  公开号：

  US05416066A1
• 作为产物：
  描述：

  2,3,4,5-四氢-7-甲氧基-1,4-苯并硫氮杂卓 生成 4-acryloyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
  参考文献：
  名称：

  1,4-benzothiazepine derivatives

  摘要：

  本发明的目的是提供具有心肌KD（动力细胞死亡）抑制作用的化合物，而不伴随心脏抑制作用。一种由以下式[I]表示的1,4-苯并噻吩衍生物：##STR1## 其中每个取代基的定义如下：R表示H或C.sub.1-C.sub.3低烷氧基；X表示O或H.sub.2；n表示1或2；R.sup.1表示H，取代苯基，其中取代基为OH或C.sub.1-C.sub.3低烷氧基，##STR2## C.sub.1-C.sub.3低烷氧基，##STR3## 其中R.sup.2表示C.sub.1-C.sub.3酰基，ph表示苯基，或其药学上可接受的盐。

  公开号：

  US05416066A1

文献信息

• PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES
  申请人：Deng Shixian

  公开号：US20090227788A1

  公开（公告）日：2009-09-10

  The invention provides a process for preparing a 2,3,4,5-tetrahydro[1,4]benzothiazepine of formula: by reacting a [2-(acylaminoethyl)thio]arene of formula with an aldehyde or a multimer thereof, and with an acid. The invention also provides for first reacting the [2-(acylaminoethyl)thio]arene with the aldehyde or multimer thereof and a base to form an [N-hydroxymethyl-2-[acylaminoethyl)thio]arene of formula then treating the [N-hydroxymethyl-2-(acylaminoethyl)thio]arene with the acid to form the 2,3,4,5-tetrahydro[1,4]benzothiazepine.

  该发明提供了一种制备2,3,4,5-四氢[1,4]苯并噻吩的方法，通过将式中的[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及酸反应。该发明还提供了首先将[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及碱反应以形成式的[N-羟甲基-2-(酰胺基乙基)硫]芳烃，然后用酸处理[N-羟甲基-2-(酰胺基乙基)硫]芳烃以形成2,3,4,5-四氢[1,4]苯并噻吩。
• Novel agents for preventing and treating disorders involving modulation of the RyR receptors
  申请人：Marks R. Andrew

  公开号：US20070049572A1

  公开（公告）日：2007-03-01

  The present invention provides novel compounds of Formula I and salts, hydrates, solvates, complexes, and prodrugs thereof. The present invention further provides methods for synthesizing compounds of Formula I. The invention additionally provides pharmaceutical compositions comprising the compounds of Formula I and methods of using the pharmaceutical compositions of Formula I to treat and prevent disorders and diseases associated with the RyR receptors that regulate calcium channel functioning in cells. Such disorders and diseases include, by way of example only, cardiac disorders and diseases, skeletal muscular disorders and diseases, cognitive disorders and diseases, malignant hyperthermia, diabetes, and sudden infant death syndrome. Cardiac disorder and diseases include, but are not limited to, irregular heartbeat disorders and diseases; exercise-induced irregular heartbeat disorders and diseases; sudden cardiac death; exercise-induced sudden cardiac death; congestive heart failure; chronic obstructive pulmonary disease; and high blood pressure. Irregular heartbeat disorders and diseases include and exercise-induced irregular heartbeat disorders and diseases include, but are not limited to, atrial and ventricular arrhythmia; atrial and ventricular fibrillation; atrial and ventricular tachyarrhythmia; atrial and ventricular tachycardia; catecholaminergic polymorphic ventricular tachycardia (CPVT); and exercise-induced variants thereof. Skeletal muscular disorder and diseases include, but are not limited to, skeletal muscle fatigue, exercise-induced skeletal muscle fatigue, muscular dystrophy, bladder disorders, and incontinence. Cognitive disorders and diseases include, but are not limited to, Alzheimer's Disease, forms of memory loss, and age-dependent memory loss.

  本发明提供了Formula I的新化合物及其盐、水合物、溶剂合物、络合物和前药。本发明还提供了合成Formula I化合物的方法。此外，该发明还提供了包含Formula I化合物的药物组合物，以及使用Formula I药物组合物治疗和预防与调节细胞中钙通道功能的RyR受体相关的疾病和疾病的方法。这些疾病包括但不限于心脏疾病、骨骼肌肉疾病、认知障碍和疾病、恶性高热、糖尿病和婴儿猝死综合征。心脏疾病包括但不限于心律不齐疾病、运动诱发的心律不齐疾病、猝死、运动诱发的猝死、充血性心力衰竭、慢性阻塞性肺疾病和高血压。心律不齐疾病和疾病包括运动诱发的心律不齐疾病，但不限于心房和心室心律失常、心房和心室颤动、心房和心室快速心律失常、心房和心室快速心跳、儿茶酚胺多形性心室心动过速（CPVT）及其运动诱发的变体。骨骼肌肉疾病包括但不限于骨骼肌疲劳、运动诱发的骨骼肌疲劳、肌肉萎缩、膀胱疾病和失禁。认知障碍和疾病包括但不限于阿尔茨海默病、各种记忆丧失形式和年龄相关的记忆丧失。
• [EN] PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES<br/>[FR] PROCÉDÉ POUR PRÉPARER DES BENZOTHIAZÉPINES À PARTIR DE GAMMA-AMINOALKYLBENZÈNES
  申请人：ARMGO PHARMA INC

  公开号：WO2009111463A1

  公开（公告）日：2009-09-11

  The invention provides a process for preparing a 2,3,4,5-tetrahydro[1,4]benzothiazepine of formula: [I] by reacting a [2-(acylaminoethyl)thio]arene of formula [II] with an aldehyde or a multimer thereof, and with an acid. The invention also provides for first reacting the [2-(acylaminoethyl)thio]arene with the aldehyde or multimer thereof and a base to form an [N-hydroxymethyl-2-[acylaminoethyl)thio]arene of formula [III]; then treating the [N-hydroxymethyl-2-(acylaminoethyl)thio]arene with the acid to form the 2,3,4,5-tetrahydro[1,4]benzothiazepine.

  本发明提供了一种制备式为[I]的2,3,4,5-四氢[1,4]苯并噻吩的方法，该方法通过将式[II]的[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及酸反应而得到。本发明还提供首先将[2-(酰胺基乙基)硫]芳烃与醛或其多聚物以及碱反应以形成式[III]的[N-羟甲基-2-(酰胺基乙基)硫]芳烃；然后用酸处理[N-羟甲基-2-(酰胺基乙基)硫]芳烃以形成2,3,4,5-四氢[1,4]苯并噻吩。
• METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS
  申请人：Landry Donald W.

  公开号：US20090292119A1

  公开（公告）日：2009-11-26

  The present invention provides improved methods for synthesizing novel benzothiazepine compounds. In particular, the invention relates to a new method that generally is used to make the substituted 2,3,4,5-tetrahydro-1,4-benzothiazepine compounds of a general formula which then may be used to make many other benzothiazepine compounds.

  本发明提供了改进的合成新型苯并噻吩化合物的方法。具体来说，本发明涉及一种新方法，通常用于制备一般式的取代2,3,4,5-四氢-1,4-苯并噻吩化合物，然后可以用于制备许多其他苯并噻吩化合物。
• NOVEL ANTI-ARRHYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RyR2)
  申请人：Marks Andrew Robert

  公开号：US20100152440A1

  公开（公告）日：2010-06-17

  The present invention provides novel 1,4-benzothiazepine intermediates and derivatives, methods for synthesizing same, and methods for assaying same. The present invention also provides methods for using these novel compounds to limit or prevent a decrease in the level of RyR2-bound FKBP12.6 in a subject; to prevent exercise-induced sudden cardiac death in a subject; and to treat or prevent heart failure, atrial fibrillation, or exercise-induced cardiac arrhythmia in a subject. The present invention further provides methods for identifying an agent that enhances binding of RyR2 and FKBP12.6, and agents identified by these methods. Additionally, the present invention provides methods for identifying agents for use in treating or preventing heart failure, atrial fibrillation, or exercise-induced cardiac arrhythmia, and in preventing exercise-induced sudden cardiac death. Also provided are agents identified by such methods.

  本发明提供了新颖的1,4-苯并噻唑啉中间体和衍生物，以及合成这些化合物的方法和检测这些化合物的方法。本发明还提供了使用这些新化合物限制或预防受试者中RyR2-结合FKBP12.6水平下降的方法；预防受试者运动引起的突发性心脏死亡的方法；以及治疗或预防受试者心力衰竭、心房颤动或运动引起的心脏心律失常的方法。本发明还提供了用于识别增强RyR2和FKBP12.6结合的试剂的方法和由这些方法识别的试剂。此外，本发明还提供了用于识别用于治疗或预防心力衰竭、心房颤动或运动引起的心脏心律失常以及预防运动引起的突发性心脏死亡的试剂的方法，以及由这些方法识别的试剂。