5-(2-氯苯基)-7-乙基-1H-噻吩并[2,3-e][1,4]二氮杂卓-2(3h)-硫酮 | 40054-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 中文名称: 5-(2-氯苯基)-7-乙基-1H-噻吩并[2,3-e][1,4]二氮杂卓-2(3h)-硫酮
• 中文别名: (E)-5-(2-氯苯基)-7-乙基-1H-噻吩并[2,3-e][1,4]二氮杂卓-2(3h)-硫酮
• 英文名称: 5-(2-chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-thione
• 英文别名: 5-(2-chloro-phenyl)-7-ethyl-1,3-dihydro-thieno[2,3-e][1,4]diazepine-2-thione；5-(2-chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]1,4-diazepine-2-thione；5-o-chlorophenyl-7-ethyl-1,2-dihydro-3H-thieno[2,3-e] [1,4] diazepine-2-thione；5-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepine-2-thione；5-(2-chlorophenyl)-7-ethyl-1,3-dihydrothieno[2,3-e][1,4]diazepine-2-thione
• CAS: 40054-40-8
• 化学式: C₁₅H₁₃ClN₂S₂
• 分子量: 320.867
• InChiKey: VWFRDTLDEMPIJT-UHFFFAOYSA-N

物化性质

• 熔点：
  198-199℃
• 沸点：
  438.6±55.0 °C(Predicted)
• 密度：
  1.39

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  84.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(2-氯苯基)-7-乙基-1H-噻吩并[2,3-e][1,4]二氮杂卓-2(3h)-硫酮 在 一水合肼 、 三乙胺 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 2.0h， 生成 5-(2-chloro-phenyl)-7-ethyl-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one acetylhydrazone
  参考文献：
  名称：

  Tahara; Araki; Shiroki, Arzneimittel-Forschung/Drug Research, 1978, vol. 28, # 7, p. 1153 - 1158

  摘要：

  DOI：
• 作为产物：
  描述：

  去甲氯噻西泮; 去甲基氯噻西泮; 5-(2-氯苯基)-7-乙基-1,3-二氢-2H-噻吩并[2,3-e][1,4]二氮杂卓-2-酮 在 吡啶 、 tetraphosphorus decasulfide 作用下， 反应 1.0h， 生成 5-(2-氯苯基)-7-乙基-1H-噻吩并[2,3-e][1,4]二氮杂卓-2(3h)-硫酮
  参考文献：
  名称：

  Tahara; Araki; Shiroki, Arzneimittel-Forschung/Drug Research, 1978, vol. 28, # 7, p. 1153 - 1158

  摘要：

  DOI：

文献信息

• Triazolothienodiazepine compounds
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US03965111A1

  公开（公告）日：1976-06-22

  Triazolothienodiazepine compounds of the formula; ##SPC1## Wherein X is a member selected from the group consisting of a hydrogen atom, a methyl group, a methoxy group and a trifluoromethyl group; each of R.sup.1 and R.sup.2 is a member selected from the group consisting of a hydrogen atom and an alkyl group having 1 to 4 carbon atoms, or R.sup.1 and R.sup.2 together can form a tetramethylene group, i.e.--(CH.sub.2).sub.4 --; R is a member selected from the group consisting of a hydrogen atom, an alkyl group having 1 to 4 carbon atoms, --CONHR.sup.3 (R.sup.3 being an alkyl group having 1 to 4 carbon atoms) and -alk-N(R.sup. 4)(R.sup.5) (each of R.sup.4 and R.sup.5 being a member selected from the group consisting of a hydrogen atom and an alkyl group having 1 to 4 carbon atoms, or R.sup.4 and R.sup.5 and N can form a heterocyclic ring; and alk being an alkylene group having 2 to 4 carbon atoms); and Z is a member selected from the group consisting of an oxygen atom and a sulphur atom; and the pharmaceutically acceptable acid addition salts thereof are disclosed. These compounds are useful as minor tranquillizers (anti-anxiety drugs), sleep inducers, and anti-epileptics.

  三唑噻二氮杂环庚烯酮类化合物的结构式如下：##SPC1## 其中X为选自氢原子、甲基基团、甲氧基基团和三氟甲基基团的成员；R.sup.1和R.sup.2中的每一个为选自氢原子和碳原子数为1至4的烷基基团的成员，或者R.sup.1和R.sup.2一起可以形成四亚甲基基团，即--(CH.sub.2).sub.4--; R为选自氢原子、碳原子数为1至4的烷基基团、--CONHR.sup.3 (R.sup.3为碳原子数为1至4的烷基基团)和-烷基-N(R.sup.4)(R.sup.5) (R.sup.4和R.sup.5中的每一个为选自氢原子和碳原子数为1至4的烷基基团，或者R.sup.4和R.sup.5和N可以形成杂环环；烷基为碳原子数为2至4的烷基基团)；Z为选自氧原子和硫原子的成员；以及其药用酸盐。这些化合物可用作轻度镇静剂（抗焦虑药物）、催眠剂和抗癫痫药物。
• THIENODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0661284A1

  公开（公告）日：1995-07-05

  A thienodiazepine compound represented by general formula (I), a salt thereof, and a medicinal use thereof, wherein R³ represents a group represented by any of the following formulae: (1), -(CH₂)aN(R⁴)COR⁷ (2), -(CH₂)aN(R⁸)SO₂R⁹ (3), -(CH₂)aN(R⁸)COOR¹⁰ (4), -(CH₂)aOCON(R¹¹)(R¹²) (5), -(CH₂)aCON(R¹³(R¹⁴) (6), -(CH₂)aOCOR¹⁵ (7), -(CH₂)aOSO₂R¹⁶ (8), -(CH₂)aCOR¹⁷ (9) and -(CH₂aS(O)nR¹⁸ (10), a represents an integer of 0, 1 to 6 ; Z represents oxygen or sulfur ; and X represents oxygen or sulfur, provided that X and Y may be combined together to represent = N-N = C(R²⁰)- or = N-CH = C(R²⁰)-. This compound has CCK antagonism, gastrin antagonism and cell fusion inhibitor activity, thus being useful as a medicine.

  一种由通式（I）表示的噻唑二氮化合物，其盐以及药用途，其中R³代表以下任一式子表示的基团：（1）、-(CH₂)aN(R⁴)COR⁷（2）、-(CH₂)aN(R⁸)SO₂R⁹（3）、-(CH₂)aN(R⁸)COOR¹⁰（4）、-(CH₂)aOCON(R¹¹)(R¹²)（5）、-(CH₂)aCON(R¹³(R¹⁴)（6）、-(CH₂)aOCOR¹⁵（7）、-(CH₂)aOSO₂R¹⁶（8）、-(CH₂)aCOR¹⁷（9）和-(CH₂aS(O)nR¹⁸（10），a代表0、1至6的整数；Z代表氧或硫；X代表氧或硫，条件是X和Y可以结合在一起表示= N-N = C(R²⁰)-或= N-CH = C(R²⁰)-。该化合物具有CCK拮抗作用、胃泌素拮抗作用和细胞融合抑制剂活性，因此可用作药物。
• Therapeutic agent for osteoporosis and diazepine compound
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US05593988A1

  公开（公告）日：1997-01-14

  A therapeutic agent for osteoporosis, comprising an azepine compound of the formula ##STR1## wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof as an active ingredient, a method for treating osteoporosis comprising administering said compound and a use of said compound for the production of a therapeutic agent for osteoporosis. The compounds of the formula (I) have superior bone resorption-inhibitory activity and act to reduce the increased amount of calcium in blood serum, which is caused by bone resorption. Accordingly, these compounds are usable as pharmaceutical agents to effectively inhibit bone resorption, to prevent decrease of bone mass and to prevent or suppress the increase of calcium amount in blood serum which is caused by the progress of bone resorption, with regard to Paget's disease, hypercalcemia, osteoporosis and so on in which the progress of bone resorption is considered to be deeply associated with the symptom, and to the symptoms of progressing bone resorption (development into osteoporosis) along with inflammatory joint diseases such as rheumatoid arthritis.

  一种治疗骨质疏松症的治疗剂，包括式（I）的一种螺内酯化合物或其药学上可接受的盐作为活性成分，其中每个符号如规范中所定义，以及使用该化合物的方法治疗骨质疏松症和用于制备治疗骨质疏松症的治疗剂的用途。式（I）的化合物具有卓越的骨吸收抑制活性，并作用于减少由骨吸收引起的血清钙含量的增加量。因此，这些化合物可用作制药剂，有效地抑制骨吸收，防止骨量减少，并防止或抑制由骨吸收的进展引起的血清钙含量的增加，在帕吉特病、高钙血症、骨质疏松症等疾病中，骨吸收的进展被认为与症状密切相关，并且在类风湿性关节炎等炎症性关节疾病的进展中，可防止或抑制骨吸收的症状（发展成骨质疏松症）。
• Thiophene derivatives
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US03952006A1

  公开（公告）日：1976-04-20

  Thiophene derivatives of the formula: ##SPC1## Wherein R.sup.1 is H or CH.sub.3 ; R.sup.2 is CH.sub.3 or C.sub.2 H.sub.5, or R.sup.1 and R.sup.2 combinedly represent --(CH.sub.2).sub.4 --; each of R.sup.3 and R.sup.4 is H, alkyl of from 1 to 4 carbon atoms or cyclohexyl, or R.sup.3 and R.sup.4 together with the adjacent nitrogen atom form 1-pyrrolidinyl, piperidino, 4-methyl-1-piperazinyl or morpholino; X is H, halogen or OCH.sub.3 ; A is -CH= or --C(CH.sub.3)=, and B is =N-- or =CH--; or A is --C(CH.sub.2 OH)= or --N=, and B is =N--, and pharmaceutically acceptable acid addition salts thereof possess excellent pharmacological properties such as sedative, anxiolytic and anticonvulsant effects and protective effects against hypoxia or anoxia.

  分子式为：##SPC1## 其中，R.sup.1为H或CH.sub.3；R.sup.2为CH.sub.3或C.sub.2 H.sub.5，或R.sup.1和R.sup.2组合表示--(CH.sub.2).sub.4--；R.sup.3和R.sup.4中的每一个为H，1到4个碳原子的烷基或环己基，或R.sup.3和R.sup.4与相邻的氮原子形成1-吡咯烷基，哌嗪基，4-甲基-1-哌嗪基或吗啡环；X为H，卤素或OCH.sub.3；A为-CH=或--C(CH.sub.3)=，B为=N--或=CH--；或者A为--C(CH.sub.2 OH)=或--N=，B为=N--，其药物可接受的酸盐具有出色的药理学特性，如镇静、抗焦虑和抗癫痫作用以及对缺氧或无氧的保护作用。
• REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0638560A1

  公开（公告）日：1995-02-15

  A remedy for osteoporosis containing a diazepine compound represented by general formula (I) or a pharmaceutically acceptable salt thereof as the active ingredient; a method of treating osteoporosis by administering the above compound; and the use of the compound for preparing a remedy for osteoporosis in formula (I) Ar represents aryl or heteroaryl; X represents oxygen or sulfur; W represents -N(R³⁶)-, -O- or -S-; Q represents a ring selected among (a), (b), (c) and (d), X and Y may be combined together to form =N-N=C(R⁶)-, =N-C(R⁵)=C(R⁶)-, =C(R⁵)-N=C(R⁶)-, =N-O-CO- or =N-N(R⁵)-CO-.

  一种治疗骨质疏松症的药物，含有通式(I)代表的二氮杂卓化合物或其药学上可接受的盐作为活性成分；一种通过施用上述化合物治疗骨质疏松症的方法；以及该化合物用于制备骨质疏松症药物的用途，在式(I)中 Ar 代表芳基或杂芳基；X代表氧或硫； W代表-N(R³⁶)-、-O-或-S-；Q 代表选自(a)、(b)、(c)和(d)的环，X 和 Y 可结合在一起形成 =N-N=C(R⁶)-、=N-C(R⁵)=C(R⁶)-、=C(R⁵)-N=C(R⁶)-、=N-O-CO- 或 =N-N(R⁵)-CO-。