ethyl (2RS)-2-(2-cyano-10-phenothiazinyl)-propionate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: ethyl (2RS)-2-(2-cyano-10-phenothiazinyl)-propionate
• 英文别名: ethyl (2RS)-2-(2-cyano-10-phenothiazinyl)propionate；ethyl 2-(2-cyanophenothiazin-10-yl)propanoate
• 化学式: C₁₈H₁₆N₂O₂S
• 分子量: 324.403
• InChiKey: ALOLSEWGCHUZIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (2RS)-2-(2-cyano-10-phenothiazinyl)-propionate 生成 10-[(2RS)1-hydroxy-2-propyl]-2-phenothiazinecarbonitrile
  参考文献：
  名称：

  GARRET, CLAUDE;GUYON, CLAUDE;PLAU, BERNARD;TAURAND, GERARD

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氰基吩噻嗪 、 2-氯丙酸乙酯 生成 ethyl (2RS)-2-(2-cyano-10-phenothiazinyl)-propionate
  参考文献：
  名称：

  GARRET, CLAUDE;GUYON, CLAUDE;PLAU, BERNARD;TAURAND, GERARD

  摘要：

  DOI：

文献信息

• Phenothiazine derivatives, their preparation and pharmaceutical
  申请人：Rhone-Poulenc Sante

  公开号：US04985419A1

  公开（公告）日：1991-01-15

  Phenothiazine derivatives of formula: ##STR1## in which Y is hydrogen or halogen, R.sub.1 and R.sub.2, which may be identical or different, denote alkyl, cycloalkyl-alkyl, hydroxyalkyl or acetyloxyalkyl radicals or form, together with the nitrogen atom to which they are attached, an optionally substituted, saturated or partially unsaturated 4- to 7-membered heterocycle; and either X is oxygen, sulphur or: N-R.sub.4, R is cycloalkyl, phenyl or --CH.sub.2 R.sub.3, R.sub.3 is H, alkyl (1 to 5 C), alkenyl or alkynyl (2 to 4 C), cycloalkyl (3 to 6 C), phenyl, substituted phenyl or a heterocyclic radical, R.sub.4 is H or --CN, except that X is not oxygen if, simultaneously, R.sub.3 is H or alkyl, R.sub.1 and R.sub.2 are alkyl or NR.sub.1 R.sub.2 forms an unsubstituted heterocycle, and Y is H; or X is: N-R.sub.4 and R.sub.4 forms, with R and the neighbouring atoms, an optionally substituted imidazolyl or imidazolinyl radical or a hexahydrobenzimidazolyl radical, in their isomeric forms and mixtures thereof and their acid addition salts are useful as analgesics and diuretics.

  公式为：##STR1## 其中 Y 为氢或卤素，R.sub.1 和 R.sub.2 可相同也可不同，表示烷基、环烷基-烷基、羟基烷基或乙酰氧基烷基基团，或者与它们连接的氮原子一起形成一个可选取代的饱和或部分不饱和的4-至7-成员杂环；而 X 为氧、硫或：N-R.sub.4，R 为环烷基、苯基或 --CH.sub.2 R.sub.3，R.sub.3 为 H、烷基（1 到 5 C）、烯基或炔基（2 到 4 C）、环烷基（3 到 6 C）、苯基、取代苯基或杂环基，R.sub.4 为 H 或 --CN，但若同时 R.sub.3 为 H 或烷基、R.sub.1 和 R.sub.2 为烷基或 NR.sub.1 R.sub.2 形成未取代的杂环，且 Y 为 H，则 X 不为氧；或 X 为：N-R.sub.4，且 R.sub.4 与 R 及相邻原子形成可选取代的咪唑基或咪唑啉基基团或环己氢苯并咪唑基团，以其异构体形式和混合物及其酸盐形式作为镇痛剂和利尿剂。
• Derivatives of phenothiazine and the compositions which contain them
  申请人：Rhone-Poulenc Sante

  公开号：US04912105A1

  公开（公告）日：1990-03-27

  Phenothiazine derivatives of formula ##STR1## in which R represents --NR.sub.1 R.sub.2 in which R.sub.1 and R.sub.2, which may be identical or different, are alkyl, hydroxyalkyl or acetyloxyalkyl radicals, or form, together with the nitrogen atom to which they are attached, a heterocycle containing 4 to 7 members which may be substituted by 1 or 2 alkyl, hydroxyalkyl or acetyloxyalkyl radicals, or R represents --N.sup.+ R.sub.1 R.sub.2 R.sub.3 in which R.sub.1 and R.sub.2 are as defined above and R.sub.3 is alkyl or phenylalkyl, their isomeric forms and their mixtures, and their salts, are useful in the field of antidiarrhetics.

  公式为##STR1##的苯噻嗪衍生物，其中R代表--NR.sub.1 R.sub.2，其中R.sub.1和R.sub.2可能相同也可能不同，是烷基、羟基烷基或乙酰氧基烷基基团，或者与它们连接的氮原子一起形成含有4到7个成员的杂环，该杂环可能被1或2个烷基、羟基烷基或乙酰氧基烷基基团取代，或者R代表--N.sup.+ R.sub.1 R.sub.2 R.sub.3，其中R.sub.1和R.sub.2如上定义，R.sub.3是烷基或苯基烷基，它们的同分异构体和混合物以及它们的盐，在止泻药领域中是有用的。
• Analgesic phenothiazine derivatives
  申请人：Rhone-Poulenc Sante

  公开号：US05049669A1

  公开（公告）日：1991-09-17

  Phenothiazine derivatives of general formula (I), in which R is a linear or branched (1 to 6 C) alkyl radical and R.sub.1 and R.sub.2, which may be identical or different, are linear or branched (1 to 4 C) alkyl radicals or form, with the nitrogen atom to which they are attached, a 4- to 7-membered heterocycle, their isomeric forms and mixtures thereof as well as their addition salts with acids, possess analgesic and diuretic activity. ##STR1##

  通式（I）的苯并噻唑衍生物，其中R是线性或支链（1至6 C）烷基基团，R.sub.1和R.sub.2可能相同或不同，是线性或支链（1至4 C）烷基基团或与它们附着的氮原子形成4-至7-成员的杂环，它们的同分异构体和混合物以及它们与酸的加合物具有镇痛和利尿活性。 ##STR1##
• GARRET, CLAUDE;GUYON, CLAUDE;PLAU, BERNARD;TAURAND, GERARD
  作者：GARRET, CLAUDE、GUYON, CLAUDE、PLAU, BERNARD、TAURAND, GERARD

  DOI：——

  日期：——
• GARRET, C.;TAURAND, G.
  作者：GARRET, C.、TAURAND, G.

  DOI：——

  日期：——