7-n-Octyl-5-(2-chlorophenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-2-one | 120135-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: 7-n-Octyl-5-(2-chlorophenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-2-one
• 英文别名: 5-(2-chlorophenyl)-7-octyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-one；5-(2-Chlorophenyl)-7-octyl-1,3-dihydrothieno[2,3-e][1,4]diazepin-2-one
• CAS: 120135-10-6
• 化学式: C₂₁H₂₅ClN₂OS
• 分子量: 388.961
• InChiKey: KHRIKEUPRFEVTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-n-Octyl-5-(2-chlorophenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-2-one 在 tetraphosphorus decasulfide 作用下， 以 氯仿 为溶剂， 反应 4.0h， 生成 5-(2-Chloro-phenyl)-7-octyl-1,3-dihydro-thieno[2,3-e][1,4]diazepine-2-thione
  参考文献：
  名称：

  Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f]-[1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

  摘要：

  A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (+/-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

  DOI：

  10.1016/0223-5234(96)85877-6
• 作为产物：
  描述：

  2-chloroacetamido-3-(2-chlorobenzoyl)-5-octylthiophene 在 氨 、 溶剂黄146 、 sodium iodide 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 26.0h， 生成 7-n-Octyl-5-(2-chlorophenyl)-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-2-one
  参考文献：
  名称：

  Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f]-[1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

  摘要：

  A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (+/-)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]-6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

  DOI：

  10.1016/0223-5234(96)85877-6

文献信息

• 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药物，包含式##STR1##所示的氮杂环庚烷化合物，其中每个符号的定义如说明书中所述，或其药学上可接受的盐作为活性成分，治疗骨质疏松症的方法包括给予所述化合物，以及所述化合物用于制备治疗骨质疏松症药物的用途。式(I)的化合物具有优异的骨吸收抑制活性，并能减少由骨吸收引起的血清钙增加量。因此，这些化合物可用作药物，有效抑制骨吸收，预防骨量减少，并预防或抑制由骨吸收进展引起的血清钙含量增加，涉及佩吉特病、高钙血症、骨质疏松症等，其中骨吸收的进展被认为与症状密切相关，以及随着炎症性关节疾病如类风湿性关节炎进展，骨吸收进展（发展为骨质疏松症）的症状。
• 2-alkyl thieno(triazolo)diazepine compounds and pharmaceutical uses
  申请人：Yoshitomi Pharmaceutical Industries, Ltd.

  公开号：US04960770A1

  公开（公告）日：1990-10-02

  A thienotriazolodiazepine compound of the formula: ##STR1## wherein Ar is phenyl, pyridyl, substituted phenyl or substituted pyridyl; R.sup.1 and R.sup.3 are the same or different and each is hydrogen, alkyl having 1 to 4 carbon atoms; R.sup.2 is hydrogen, alkyl having 1 to 4 carbon atoms or trifluoromethyl; R.sup.4 is straight or branched chain alkyl, alkenyl or alkynyl having 6 to 18 carbon atoms, or a thienodiazepine compound of the formula: ##STR2## wherein Ar, R.sup.1, R.sup.2 and R.sup.4 are as defined above, and pharmaceutically acceptable acid addition salt thereof. These compounds are useful as drugs for the treatment of circulatory diseases and various PAF-induced diseases. The compound (II) is also useful as an intermediate for preparing the compound (I).

  一种噻唑二氮杂环己烷类化合物的化学式如下：##STR1## 其中Ar为苯基、吡啶基、取代苯基或取代吡啶基；R.sup.1和R.sup.3相同或不同，每个都是氢、具有1至4个碳原子的烷基；R.sup.2为氢、具有1至4个碳原子的烷基或三氟甲基；R.sup.4为直链或支链烷基、烯基或炔基，具有6至18个碳原子，或者为噻唑二氮杂环己烷类化合物的化学式如下：##STR2## 其中Ar、R.sup.1、R.sup.2和R.sup.4如上所定义，并且其药学上可接受的酸盐。这些化合物可用作治疗循环系统疾病和各种PAF诱导疾病的药物。化合物（II）还可用作制备化合物（I）的中间体。
• 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-。
• THIENO(TRIAZOLO)DIAZEPINE COMPOUNDS AND MEDICINAL APPLICATION OF THE SAME
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0315698B1

  公开（公告）日：1993-03-03
• US4960770A
  申请人：——

  公开号：US4960770A

  公开（公告）日：1990-10-02