地尔硫卓杂质 | 86408-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 中文名称: 地尔硫卓杂质
• 中文别名: 去乙酰-N-去甲基地尔硫卓盐酸盐
• 英文名称: N-demethyl-deacetyl-diltiazem
• 英文别名: N-desmethyldesacetyldiltiazem；N-desmethyl,O-desacetyldiltiazem；N-Demethyldesacetyldiltiazem；1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-；(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-[2-(methylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
• CAS: 86408-44-8
• 化学式: C₁₉H₂₂N₂O₃S
• 分子量: 358.461
• InChiKey: HNXJRKQNTGIDDU-MSOLQXFVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  87.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  地尔硫卓杂质 、 1-碘代丙烷 、 potassium carbonate 、 在 乙酸乙酯 、 水 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以whereby (±)-cis-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(N-methyl-N-n-propylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one is obtained as a colorless oil的产率得到(+)-cis-2-(4-methoxyphenyl)-3-hydroxy-5-[2-(N-methyl-N-n-propylamino)ethyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
  参考文献：
  名称：

  1,5-Benzothiazepin-4-one, their pharmaceutical compositoins, and methods

  摘要：

  本发明涉及一种化合物，其化学式为：##STR1## 其中，R.sup.1和R.sup.2均为低级烷基，R.sup.3为氢，低级烷基或羟基-低级烷基，R.sup.4为氢，卤素，低级烷基，低级烷氧基，低级烷基硫基或硝基，A为低级烷基。所述化合物(I)及其药学上可接受的酸盐是作为脑血管或冠状动脉扩张剂有用的。

  公开号：

  US04521430A1

文献信息

• [EN] SHORT ACTING BENZOTHIAZEPINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF<br/>[FR] BLOQUEURS DE CANAL CALCIQUE DE BENZOTHIAZÉPINE À ACTION COURTE ET UTILISATIONS DE CEUX-CI
  申请人：MILESTONE PHARMACEUTICALS INC

  公开号：WO2010022259A1

  公开（公告）日：2010-02-25

  The present invention relates to short-acting calcium channel blocking compounds and their use to treat ischemic heart conditions, cardiac arrhythmias, hypertensive crisis in an emergency room setting, hypertension in general, hypertension before, during, or after surgery, no-reflow phenomenon following reperfusion, and diseases associated with decreased skeletal muscle blood flow. The invention also relates to pharmaceutical compositions formulated for use in such methods and to kits for such methods.

  本发明涉及短效钙通道阻滞化合物及其用于治疗缺血性心脏病、心律失常、急诊室高血压危机、一般高血压、手术前、手术期间或手术后高血压、再灌注后无反流现象以及与骨骼肌血流减少相关的疾病。该发明还涉及用于这些方法的制剂以及用于这些方法的工具包。
• 1,5-benzothiazepine derivatives and preparation thereof
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：US05134139A1

  公开（公告）日：1992-07-28

  Novel 1,5-benzothiazepine derivatives of the formula: ##STR1## wherein X is hydrogen atom, a halogen atom or a lower alkyl group; R.sup.1 is a lower alkyl group or a lower alkoxy group; R.sup.2 is hydrogen atom, a lower alkyl group, a substituted or unsubstituted phenyl group, a substituted or unsubstituted phenyl-lower alkyl grup or a diphenyl-lower alkyl group; R.sup.3 is a lower alkyl group or a substituted or unsubstituted phenyl-lower alkyl group, Q is single bond, or an alkylene or lower alkenylene group which may optionally be substituted by a lower alkoxy group or oxo group; R.sup.4 is (i) hydrogen atom, (ii) a lower alkyl group, (iii) an N-phenyl-N-lower alkylamino group, (iv) a phenyl, phenyloxy, phenylthio, benzenesulfonylamino, 1,4-benzoquinonyl or benzylthio group which may optionally have substituent, or (v) a heterocyclic group which may optionally have substituent; and n is 2 or 3, or a pharmaceutically acceptable salt thereof, which are useful as a calcium antagonist, and the process for preparing thereof.

  公式为：##STR1##的1,5-苯并噻唑衍生物，其中X为氢原子，卤素原子或较低的烷基；R.sup.1为较低的烷基或较低的烷氧基；R.sup.2为氢原子，较低的烷基，取代或未取代的苯基，取代或未取代的苯基-较低烷基基团或二苯基-较低烷基基团；R.sup.3为较低的烷基或取代或未取代的苯基-较低烷基基团，Q为单键，或者是一种可以选择性地被较低的烷氧基或氧代基取代的烷基或较低的烯基基团；R.sup.4为（i）氢原子，（ii）较低的烷基，（iii）N-苯基-N-较低烷基氨基基团，（iv）苯基，苯氧基，苯硫基，苯磺酰氨基，1,4-苯醌基或苄硫基基团，可以选择性地具有取代基，或者（v）可以选择性地具有取代基的杂环基团；n为2或3，或其药学上可接受的盐，可用作钙拮抗剂，以及其制备方法。
• SHORT ACTING BENZOTHIAZEPINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF
  申请人：Maguire Martin P.

  公开号：US20110144087A1

  公开（公告）日：2011-06-16

  The present invention relates to short-acting calcium channel blocking compounds and their use to treat ischemic heart conditions, cardiac arrhythmias, hypertensive crisis in an emergency room setting, hypertension in general, hypertension been.) fore, during, or after surgery, no-reflow phenomenon following reperfusion, and diseases associated with decreased skeletal muscle blood flow. The invention also relates to pharmaceutical compositions formulated for use in such methods and to kits for such methods.

  本发明涉及短效钙通道阻滞化合物及其用于治疗缺血性心脏病、心脏心律失常、急诊室高血压危机、一般高血压、手术前、手术中或手术后的高血压、再灌注后无反流现象以及与骨骼肌血流减少相关的疾病的用途。本发明还涉及用于上述方法的制剂及用于上述方法的工具包。
• Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：EP0128462A1

  公开（公告）日：1984-12-19

  Novel benzothiazepine derivatives of the formula wherein R1 and R2 are each lower alkyl, R3 is hydrogen, lower alkyl or hydroxy-lower alkyl, R4 is hydrogen, halogen, lower alkyl, lower alkoxy, lower alkylthio or nitro, and A is lower alkylene and processes for preparing same are disclosed. Said compounds (I) and pharmaceutically acceptable acid addition salts thereof in form of pharmaceutical compositions are useful as cerebral or coronary vasodilators.

  式中的新型苯并硫氮杂卓衍生物 其中 R1 和 R2 各为低级烷基，R3 为氢、低级烷基或羟基-低级烷基，R4 为氢、卤素、低级烷基、低级烷氧基、低级烷硫基或硝基，A 为低级亚烷基。以药物组合物形式存在的上述化合物（I）及其药学上可接受的酸加成盐可用作脑或冠状动脉血管扩张剂。
• 1,5-Benzothiazepine derivatives and preparation thereof
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0416479A1

  公开（公告）日：1991-03-13

  Novel 1,5-benzothiazepine derivatives of the formula: wherein X is hydrogen atom, a halogen atom or a lower alkyl group; R1 is a lower alkyl group or a lower alkoxy group; R2 is hydrogen atom, a lower alkyl group, a substituted or unsubstituted phenyl group, a substituted or unsubstituted phenyl-lower alkyl group or a diphenyl-lower alkyl group; R3 is a lower alkyl group or a substituted or unsubstituted phenyl-lower alkyl group, Q is single bond, or an alkylene or lower alkenylene group which may optionally be substituted by a lower alkoxy group or oxo group; R4 is (i) hydrogen atom, (ii) a lower alkyl group, (iii) an N-phenyl-N-lower alkylamino group, (iv) a phenyl, phenyloxy, phenylthio, benzenesulfonylamino, 1,4-benzoquinonyl or benzylthio group which may optionally have substituent, or (v) a heterocyclic group which may optionally have substituent; and n is 2 or 3, or a pharmaceutically acceptable salt thereof, which are useful as a calcium antagonist, and the process for preparing thereof.

  式中的新型 1，5-苯并硫氮杂卓衍生物： 其中，X 是氢原子、卤素原子或低级烷基；R1 是低级烷基或低级烷氧基；R2 是氢原子、低级烷基、取代或未取代的苯基、取代或未取代的苯基-低级烷基或二苯基-低级烷基；R3 是低级烷基或取代或未取代的苯基-低级烷基，Q 是单键、亚烷基或低级烯基，可任选被低级烷氧基或氧代基团取代；R4 是(i)氢原子，(ii)低级烷基，(iii)N-苯基-N-低级烷基氨基，(iv)苯基、苯氧基、苯硫基、苯磺酰氨基、1,4-苯醌基或苄硫基，可选择具有取代基，或(v)杂环基，可选择具有取代基；以及 n 是 2 或 3，或其药学上可接受的盐，可用作钙拮抗剂及其制备方法。