3H-1,2-Benzodiazepin-2-oxid | 59066-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3H-1,2-Benzodiazepin-2-oxid
• 英文别名: 3H-benzo[c][1,2]diazepine 2-oxide；2-oxido-3H-1,2-benzodiazepin-2-ium
• CAS: 59066-32-9
• 化学式: C₉H₈N₂O
• 分子量: 160.175
• InChiKey: VCXGLBWGJOUGMJ-UHFFFAOYSA-N

物化性质

• 熔点：
  85-86 °C
• 沸点：
  318.9±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3H-1,2-Benzodiazepin-2-oxid 以17%的产率得到
  参考文献：
  名称：

  TSUCHIYA T.; KURITA J., CHEM. AND PHARM. BULL., 1978, 26, NO 6, 1896-1900

  摘要：

  DOI：
• 作为产物：
  描述：

  3H-1,2-Benzodiazepin 、 间氯过氧苯甲酸 以60%的产率得到
  参考文献：
  名称：

  TSUCHIYA T.; KURITA J., J. CHEM. SOC. CHEM. COMMUNS , 1976, NO 11, 419-420

  摘要：

  DOI：

文献信息

• [EN] NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSÉS DIHYDRO-OXAZINOBENZODIAZÉPINE, PROCÉDÉ POUR LEUR PRÉPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：EGIS GYÓGYSZERGYÁR ZRT

  公开号：WO2015110848A1

  公开（公告）日：2015-07-30

  Compounds of formula (I) wherein R1, R2 are independently selected from hydrogen and Cu alkyl; R3 is hydrogen or C1-4 alkyl group which is unsubstituted or substituted by phenyl, pyridyl, or amino optionally substituted by C1-4 alkyl; R4 is hydrogen; R5 is C1-4 alkyl group; R6 is selected from monocyclic aryl, which is a six membered ring unsubstituted or substituted by one or more identical or different groups selected from C1-4 alkyl groups, C1-4 alkoxy, halogenated C1-4 alkyl, phenyl, phenoxy, halogen, nitro; or mono- or bi- or tricyclic heteroaryl group consisting of five or six membered ring(s) having 1 to 3 identical or different hetero atoms selected from nitrogen, oxygen and sulfur, in which at least one of the rings is aromatic, and wherein the rings are optionally substituted by one or more identical or different groups selected from C1-4 alkyl, mono-, di-, tri- halogenated C1-4 alkyl, C1-4 alkoxy, hydroxyl, halogen; their positional isomers, racemates and enantiomers, diastereoisomers, and addition salts with a pharmaceutically acceptable acid, solvates, their complexes, adducts and prodrugs, having a selective dual action on the central GABAergic system, to a process for their preparation and to pharmaceutical compositions containing them.

  式（I）中的化合物，其中R1，R2分别选自氢和Cu烷基；R3是氢或C1-4烷基基团，未被取代或被苯基、吡啶基或氨基取代的C1-4烷基基团；R4是氢；R5是C1-4烷基基团；R6选自单环芳基，是一个未被取代或被一个或多个相同或不同的C1-4烷基基团、C1-4烷氧基、卤代C1-4烷基、苯基、苯氧基、卤素、硝基取代的六元环；或者是由含有1到3个相同或不同的氮、氧和硫杂原子的五元或六元环组成的单环、双环或三环杂芳基团，其中至少一个环是芳香的，环可以被一个或多个相同或不同的C1-4烷基、单、二、三卤代C1-4烷基、C1-4烷氧基、羟基、卤素取代；它们的位置异构体、外消旋体和对映异构体、非对映异构体、与药理学上可接受的酸形成的加合物、溶剂化合物、它们的络合物、加合物和前药，对中枢GABA能系统具有选择性双重作用的药物的制备方法以及含有它们的药物组合物。
• METHODS AND COMPOSITIONS FOR DETERRING ABUSE OF ORALLY ADMINISTERED PHARMACEUTICAL PRODUCTS
  申请人：ACURA PHARMACEUTICALS, INC.

  公开号：EP1817011A2

  公开（公告）日：2007-08-15
• NEW DIHYDRO-OXAZINOBENZODIAZEPINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Egis Gyógyszergyár Zrt.

  公开号：EP3097110A1

  公开（公告）日：2016-11-30
• [EN] METHODS AND COMPOSITIONS FOR DETERRING ABUSE OF ORALLY ADMINISTERED PHARMACEUTICAL PRODUCTS<br/>[FR] PROCEDES ET COMPOSITIONS DESTINES A DECOURAGER L'ABUS DE PRODUITS PHARMACEUTIQUES ADMINISTRES ORALEMENT
  申请人：ACURA PHARMACEUTICALS INC

  公开号：WO2006058249A2

  公开（公告）日：2006-06-01

  (EN) This invention relates to an abuse deterrent formulation of an oral dosage form of a therapeutically effective amount of any active drug substance that can be subject to abuse combined with a gel forming polymer, a nasal mucosal irritating surfactant and a flushing agent. Such a dosage form is intended to deter abuse of the active drug substance via injection, nasal inhalation or consumption of quantities of the dosage unit exceeding the usual therapeutically effective dose.(FR) L'invention concerne une formulation qui décourage l'abus d'une forme posologique orale d'une quantité efficace sur le plan thérapeutique de n'importe quelle substance médicamenteuse active pouvant être sujette à l'abus lorsqu'elle est combinée à un polymère gélifiant, un tensioactif irritant les muqueuses et un agent de rinçage. Une telle forme posologique est censée décourager l'abus de cette substance médicamenteuse active par injection, inhalation nasale ou consommation de quantités d'unités posologiques excédant la dose efficace sur le plan thérapeutique habituelle.
• [EN] CONTROLLED RELEASE FILL COMPOSITIONS AND CAPSULES CONTAINING SAME<br/>[FR] COMPOSITIONS DE REMPLISSAGE À LIBÉRATION CONTRÔLÉE ET CAPSULES LES CONTENANT
  申请人：[en]R.P. SCHERER TECHNOLOGIES, LLC

  公开号：WO2022081848A1

  公开（公告）日：2022-04-21

  A controlled release fill composition for use in soft or hard capsules, soft- or hard-shell capsules encapsulating controlled release fill compositions, a method of producing a softgel capsule with a controlled release fill composition encapsulated in the soft gel capsule shell. The controlled release fill composition includes an active pharmaceutical ingredient; polyethylene oxide having a number average molecule weight of from 0.05 M daltons to 15 M daltons; and at least one of water or a hydrophilic carrier having a number average molecule weight of from 200 daltons to 5000 daltons. Also, in the controlled release fill composition either the polyethylene oxide is present in an amount of at least 21.5 wt.%, based on a total weight of the controlled release fill composition, or the hydrophilic carrier is present in an amount up to 65 wt.%, based on a total weight of the controlled release fill composition.