7-氯-5-(2-氯苯基)-1,3-二氢-1-甲基-2H-1,4-苯并二氮杂卓-2-酮 | 2894-68-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 中文名称: 7-氯-5-(2-氯苯基)-1,3-二氢-1-甲基-2H-1,4-苯并二氮杂卓-2-酮
• 英文名称: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
• 英文别名: 7-chloro-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one；diclazepam；7-Chlor-5-<2-chlor-phenyl>-1-methyl-3H-1,4-benzodiazepin-2(1H)-on.；Ro 5-344；2-Chlorodiazepam；7-chloro-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
• CAS: 2894-68-0
• 化学式: C₁₆H₁₂Cl₂N₂O
• 分子量: 319.19
• InChiKey: VPAYQWRBBOGGPY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，并在需要时辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，并在必要时进行治疗……。监测休克，并在必要时进行治疗……。预测并治疗癫痫发作……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于误食，如果患者能吞咽、有强烈的干呕反射且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于昏迷、严重肺水肿或呼吸停止的患者，考虑进行口咽或鼻咽插管以控制气道。使用带有气囊面罩的装置进行正压通气技术可能有益。监测心率和必要时治疗心律失常。 ... 开始静脉输液，使用5%葡萄糖盐水/生理盐水：为了保持通畅，最低流速/。如果出现低血容量的迹象，使用乳酸钠林格氏液。注意液体过载的迹象。考虑使用药物治疗肺水肿。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象。使用地西泮（安定）治疗癫痫。使用丙美卡因氢氯化物协助眼部冲洗。 /毒药A和B/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  7-氯-5-(2-氯苯基)-1,3-二氢-1-甲基-2H-1,4-苯并二氮杂卓-2-酮 以 异丙醇 、 N,N-二甲基甲酰胺二乙基缩醛 为溶剂， 生成 7-Chlor-5-(2-chlorphenyl)-1,3-dihydro-3-(dimethylaminomethylen)-1-methyl-2H-1,4-benzodiazepin-2-on
  参考文献：
  名称：

  Pharmaceutical compositions containing a

  摘要：

  含有以下化合物作为活性成分的制药剂量单位组成物：##SPC1## 其中R.sub.1和R.sub.2可以相同也可以不同，分别是氢、环烷基、苯基、--A--Y，其中A是1至5个碳原子的烷基或1至5个碳原子的烯基，Y是呋喃基、二烷基氨基、羟基、羧基烷基或氨基甲酰基，或者与它们自己和它们所连接的氮原子一起，是吡咯烷基、哌啶基、己亚甲基亚胺基、吗啉基、硫代吗啉基、硫代吗啉-S-氧化物或N'-烷基哌嗪基，R.sub.3是卤素、硝基或三氟甲基，R.sub.4是氢、卤素或三氟甲基，R.sub.5是氢、烷基、环烷基-甲基、烷基氨基-烷基、二烷基氨基-烷基或三氟甲基-烷基；以及将其用作镇静剂、安定剂、肌肉松弛剂和抗癫痫药物的方法。

  公开号：

  US03956492A1
• 作为产物：
  描述：

  2-溴-N-[4-氯-2-(2-氯苯甲酰)苯基]乙酰胺 在 氨 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.5h， 生成 7-氯-5-(2-氯苯基)-1,3-二氢-1-甲基-2H-1,4-苯并二氮杂卓-2-酮
  参考文献：
  名称：

  Structure–Activity Relationship Studies of Retro-1 Analogues against Shiga Toxin

  摘要：

  High-throughput screening has shown that Retro-1 inhibits ricin and Shiga toxins by diminishing their intracellular trafficking via the retrograde route, from early endosomes to the Golgi apparatus. To improve the activity of Retro-1, a structure-activity relationship (SAR) study was undertaken and yielded an analogue with a roughly 70-fold better half-maximal effective concentration (EC50) against Shiga toxin cytotoxicity measured in a cell protein synthesis assay.

  DOI：

  10.1021/acs.jmedchem.0c00298

文献信息

• 1,3-Dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one, substituted
  申请人：American Home Products

  公开号：US04065451A1

  公开（公告）日：1977-12-27

  This invention is directed to novel central nervous system depressants of Formula I ##STR1## wherein R.sup.1 is selected from the group consisting of (lower)alkyl and ar(lower)alkyl; R.sup.2 is selected from the group consisting of di(lower)alkylamino(lower)alkyl and diaryl(lower)alkylamino(lower)alkyl; R.sup.1 and R.sup.2 may be concatenated to form a radical selected from the group consisting of ##STR2## wherein R.sup.4 is selected from the group consisting of (lower)alkyl, aryl, hydroxy(lower)alkyl, ar(lower)alkyl and (lower)alkoxy(lower)alkyl; R.sup.5 is selected from the group consisting of (lower)-alkylamino and piperidino; n is an integer from 3 to 5; m is an integer from 1-2; r is an integer from 2 to 3; s is an integer from 0 to 6; t is an integer from 0-6; with the proviso that the sum of s and t is 3 to 6; R.sup.3 is selected from the group consisting of hydrogen, (lower)alkyl, ar(lower)alkyl and (lower)alkoxy(lower)alkyl; X is selected from the group consisting of halogen, cyano, trifluoromethyl, nitro and (lower)alkylthio; Y is selected from the group consisting of hydrogen, halogen, trifluoromethyl, nitro and (lower)alkylthio; and the pharmaceutically acceptable salts thereof, in addition to the method of their preparation and administration and administrable compositions containing the active compounds.

  这项发明涉及一种新型的中枢神经系统抑制剂，其化学式为##STR1##其中R.sup.1选自（较低）烷基和芳基（较低）烷基组成的群体；R.sup.2选自二（较低）烷基氨基（较低）烷基和二芳基（较低）烷基氨基（较低）烷基组成的群体；R.sup.1和R.sup.2可以连接形成选自##STR2##其中R.sup.4选自（较低）烷基、芳基、羟基（较低）烷基、芳基（较低）烷基和（较低）氧基（较低）烷基组成的群体；R.sup.5选自（较低）烷基氨基和哌啶基；n为3至5之间的整数；m为1-2之间的整数；r为2至3之间的整数；s为0至6之间的整数；t为0-6之间的整数；但s和t的总和为3至6；R.sup.3选自氢、（较低）烷基、芳基（较低）烷基和（较低）氧基（较低）烷基组成的群体；X选自卤素、氰基、三氟甲基、硝基和（较低）烷硫基；Y选自氢、卤素、三氟甲基、硝基和（较低）烷硫基；以及其药用盐，以及它们的制备和给药方法和含有活性化合物的可给予的组合物。
• Benzodiazepine Derivatives for Use in the Treatment of Chlamydiales Infections
  申请人：Commissariat a l'Energie Atomique et aux Energies Alternatives

  公开号：US20160311783A1

  公开（公告）日：2016-10-27

  The invention relates to a method for treating a Chlamidyales infection comprising the administration of a therapeutically effective amount of a compound of formula (I) to a subject in need thereof: Wherein R 1 , R 2 , R 3 and Ar are as defined in claim 1.

  本发明涉及一种治疗衣原体目感染的方法，包括向需要治疗的受体内给予式(I)化合物的治疗有效量。其中，R1、R2、R3和Ar如权利要求1所定义。
• Benzodiazepine derivatives for use in the treatment of Chlamydiales infections
  申请人：Commissariat a l'Energie Atomique et aux Energies Alternatives

  公开号：US11136299B2

  公开（公告）日：2021-10-05

  The invention relates to a method for treating a Chlamidyales infection comprising the administration of a therapeutically effective amount of a compound of formula (I) to a subject in need thereof: Wherein R1, R2, R3 and Ar are as defined in claim 1.

  本发明涉及一种治疗衣原体感染的方法，包括向有需要的受试者施用治疗有效量的式（I）化合物： 其中 R1、R2、R3 和 Ar 如权利要求 1 所定义。
• Cortes, Eduardo Cortes; Martinez, Isidro Ebromares; Mellado, Olivia Garcia, Journal of Heterocyclic Chemistry, 2002, vol. 39, # 6, p. 1189 - 1194
  作者：Cortes, Eduardo Cortes、Martinez, Isidro Ebromares、Mellado, Olivia Garcia

  DOI：——

  日期：——
• CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS
  申请人：Elan Pharmaceuticals, Inc.

  公开号：EP0951466A2

  公开（公告）日：1999-10-27

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