Aladorian | 865433-00-7

• 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: Aladorian
• 英文别名: 2-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-oxoacetic acid
• CAS: 865433-00-7
• 化学式: C₁₂H₁₃NO₄S
• 分子量: 267.3
• InChiKey: FPWBHFYYVSNIFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  Methyl 2-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)-2-oxoacetate 以100的产率得到Aladorian
  参考文献：
  名称：

  Novel agents for preventing and treating disorders involving modulation of the RyR receptors

  摘要：

  本发明提供了式I的新化合物及其盐、水合物、溶剂合物、配合物和前药。本发明还提供了合成式I化合物的方法。此外，本发明还提供了包含式I化合物的制药组合物和使用该制药组合物治疗和预防与细胞中调节钙离子通道功能的RyR受体相关的疾病和疾病的方法。这些疾病和疾病包括，例如，心脏疾病和疾病，骨骼肌疾病和疾病，认知障碍和疾病，恶性高热，糖尿病和婴儿猝死综合征。心脏疾病和疾病包括但不限于心律不齐疾病和疾病；运动引起的心律不齐疾病和疾病；猝死；运动引起的猝死；充血性心力衰竭；慢性阻塞性肺疾病；高血压。心律不齐疾病和疾病包括运动引起的心律不齐疾病和疾病，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）；及其运动引起的变异。骨骼肌疾病和疾病包括但不限于骨骼肌疲劳，运动引起的骨骼肌疲劳，肌萎缩症，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，记忆丧失的形式和年龄相关的记忆丧失。

  公开号：

  US20070049572A1

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。
• [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。
• Process for preparing benzothiazepines from gamma-aminoalkylbenzenes
  申请人：Deng Shixian

  公开号：US08618282B2

  公开（公告）日：2013-12-31

  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.

  本发明提供了一种制备式为2,3,4,5-四氢[1,4]苯并噻吩的方法，该方法通过将式为[2-(酰胺基乙基)硫代]芳烃与醛或其多聚物以及酸反应来实现。本发明还提供了一种先将[2-(酰胺基乙基)硫代]芳烃与醛或其多聚物和碱反应以形成式为[N-羟甲基-2-(酰胺基乙基)硫代]芳烃，然后用酸处理[N-羟甲基-2-(酰胺基乙基)硫代]芳烃以形成2,3,4,5-四氢[1,4]苯并噻吩。
• Benzothiazepine derivatives as ryanodine receptor (RYR2) inhibitors and their use in the treatment of cardiac diseases
  申请人：The Trustees of Columbia University in the City of New York

  公开号：EP2127654A1

  公开（公告）日：2009-12-02

  The present invention provides methods for limiting or preventing a decrease in the level of RyR2-bound FKBP12.6 in a subject. The present invention further provides methods for treating and preventing atrial and ventricular cardiac arrhythmias, heart failure, and exercise-induced sudden cardiac death in a subject. Additionally, the present invention provides use of JTV-519 in a method for limiting or preventing a decrease in the level of RyR2-bound FKBP12.6 in a subject who has, or is a candidate for, atrial fibrillation. Also provided are uses of 1,4-benzothiazepine derivatives in methods for treating and preventing atrial and ventricular cardiac arrhythmias and heart failure in a subject, and for preventing exercise-induced sudden cardiac death. The present invention also provides methods for identifying agents for use in treating and preventing atrial fibrillation and heart failure, and agents identified by these methods. To be accompanied, when published, by Figure 1 of the drawings.

  本发明提供了限制或预防受试者体内与 RyR2 结合的 FKBP12.6 水平下降的方法。本发明进一步提供了治疗和预防受试者房性和室性心律失常、心力衰竭和运动诱发的心脏性猝死的方法。此外，本发明还提供了 JTV-519 在限制或预防患有或可能患有心房颤动的受试者体内与 RyR2 结合的 FKBP12.6 水平下降的方法中的用途。本发明还提供了1,4-苯并硫氮杂卓衍生物在治疗和预防受试者房性和室性心律失常和心力衰竭以及预防运动诱发的心脏性猝死的方法中的用途。本发明还提供了鉴定用于治疗和预防心房颤动和心力衰竭的药剂的方法，以及通过这些方法鉴定的药剂。 出版时附图 1。