4,5-二氢-1H-苯并[e][1,4]二氮杂-2(3h)-酮 | 1824-72-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4,5-二氢-1H-苯并[e][1,4]二氮杂-2(3h)-酮
• 英文名称: 4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
• 英文别名: 1,3,4,5-Tetrahydro-2H-1,4-benzodiazepin-2-one；1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
• CAS: 1824-72-2
• 化学式: C₉H₁₀N₂O
• 分子量: 162.191
• InChiKey: ROXAFEIDZVHGFX-UHFFFAOYSA-N

物化性质

• 沸点：
  365.6±35.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,5-二氢-1H-苯并[e][1,4]二氮杂-2(3h)-酮 在 四氢呋喃 、 diborane(6) 作用下， 以 四氢呋喃 为溶剂， 生成 2,3,4,5-四氢-1H-1,4-苯二氮
  参考文献：
  名称：

  Design, Synthesis, and Pharmacological Evaluation of Fused β-Homophenylalanine Derivatives as Potent DPP-4 Inhibitors

  摘要：

  Dipeptidyl peptidase-4 (DPP-4) inhibitors are accepted as a favorable class of agents for the treatment of type 2 diabetes. Herein, a series of fused beta-homophenylalanine derivatives as novel DPP-4 inhibitors were designed, synthesized, and evaluated for their inhibitory activities against DPP-4. Most of them displayed excellent DPP-4 inhibitory activities and good selectivity. Among them, 9aa, 18a, and 18m also showed good efficacy in an oral glucose tolerance test (OGTT) in ICR mice. Moreover, when dosed 8 h prior to glucose challenge, 18m showed significantly greater potency than sitagliptin. It thus provides potential candidates for the further development into potent drugs targeting DPP-4.

  DOI：

  10.1021/acsmedchemlett.5b00074
• 作为产物：
  描述：

  甲基硝基苯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 palladium 10% on activated carbon 、 氢气 、 铁粉 、 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 四氯化碳 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.08h， 生成 4,5-二氢-1H-苯并[e][1,4]二氮杂-2(3h)-酮
  参考文献：
  名称：

  Design, Synthesis, and Pharmacological Evaluation of Fused β-Homophenylalanine Derivatives as Potent DPP-4 Inhibitors

  摘要：

  Dipeptidyl peptidase-4 (DPP-4) inhibitors are accepted as a favorable class of agents for the treatment of type 2 diabetes. Herein, a series of fused beta-homophenylalanine derivatives as novel DPP-4 inhibitors were designed, synthesized, and evaluated for their inhibitory activities against DPP-4. Most of them displayed excellent DPP-4 inhibitory activities and good selectivity. Among them, 9aa, 18a, and 18m also showed good efficacy in an oral glucose tolerance test (OGTT) in ICR mice. Moreover, when dosed 8 h prior to glucose challenge, 18m showed significantly greater potency than sitagliptin. It thus provides potential candidates for the further development into potent drugs targeting DPP-4.

  DOI：

  10.1021/acsmedchemlett.5b00074

文献信息

• [EN] RESPIRATORY SYNCYTIAL VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：MEDIVIR AB

  公开号：WO2017018924A1

  公开（公告）日：2017-02-02

  Compounds of Formula (I): (Formula I), wherein Z1 is NR1A, CHR1A or CR1BR1B; one of Z2 and Z3 is CH or CR1A', the other is N, CH or CR1A'; n is 0, 1 or 2; q is 0, 1 or 2; R1A, R1A', R1B, R2 and R3 are as defined herein, their use as inhibitors of RSV and related aspects.

  式(I)的化合物：(化学式I)，其中Z1为NR1A，CHR1A或CR1BR1B；Z2和Z3中的一个为CH或CR1A'，另一个为N，CH或CR1A'；n为0、1或2；q为0、1或2；R1A、R1A'、R1B、R2和R3如本文所定义，它们作为RSV抑制剂及相关方面的用途。
• [EN] COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE<br/>[FR] COMPOSÉ POUR LE TRAITEMENT ET LA PROPHYLAXIE DE LA MALADIE DU VIRUS RESPIRATOIRE SYNCYTIAL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2013020993A1

  公开（公告）日：2013-02-14

  A compound of formula (I), as well as pharmaceutically acceptable salt thereof, wherein R1 to R10, A, Q, X and Y are as defined in description and in claims, can be used as a medicament for the treatment of respiratory syncytial virus.

  式（I）的化合物，以及其药学上可接受的盐，其中R1至R10，A，Q，X和Y如描述和索赔中定义的，可用作治疗呼吸道合胞病毒的药物。
• [EN] SEVEN-MEMBERED SULFONAMIDES AS MODULATORS OF RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORgamma, NR1F3)<br/>[FR] SULFONAMIDES À SEPT CHAÎNONS COMME MODULATEURS DES RÉCEPTEURS GAMMA ORPHELINS ASSOCIÉS À UN RÉCEPTEUR DE L'ACIDE RÉTINOÏQUE (RORGamma, NR1F3)
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2013064231A1

  公开（公告）日：2013-05-10

  The invention provides modulators for the orphan nuclear receptor RORγ and methods for treating RORγ mediated diseases by administration of these novel RORγ modulators to a human or a mammal in need thereof. Specifically, the present invention provides compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof as well as pharmaceutical compositions comprising said compounds as an active ingredient.

  这项发明提供了孤儿核受体RORγ的调节剂，以及通过向需要治疗RORγ介导疾病的人类或哺乳动物施用这些新型RORγ调节剂的方法。具体而言，本发明提供了式（1）的化合物及其对映体、二对映体、互变异构体、溶剂化合物和药学上可接受的盐，以及包含所述化合物作为活性成分的药物组合物。
• [EN] HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES HÉTÉROCYCLIQUES DES RÉCEPTEURS CGRP
  申请人：MERCK SHARP & DOHME

  公开号：WO2016022644A1

  公开（公告）日：2016-02-11

  The present invention is directed to heterocyclic compounds which are antagonists of CGRP receptors and may be useful in the treatment or prevention of diseases in which CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  本发明涉及杂环化合物，其为CGRP受体拮抗剂，可能在治疗或预防涉及CGRP的疾病（如偏头痛）方面有用。该发明还涉及包含这些化合物的药物组合物，以及在预防或治疗涉及CGRP的疾病中使用这些化合物和组合物。
• [EN] NON-PEPTIDIC HETEROCYCLE-CONTAINING COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] COMPOSÉS NON PÉPTIDIQUES CONTENANT DES HÉTÉROCYCLES POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：UNIV ALBERTA

  公开号：WO2020215157A1

  公开（公告）日：2020-10-29

  The present disclosure provides non-peptidic heterocycle-containing amylin receptor antagonist compounds, compositions that include the subject compounds, methods for preparing and using the amylin receptor antagonists, and compositions containing the amylin receptor antagonists for treating, preventing, or ameliorating Alzheimer's disease. Aspects of the present disclosure include a method of inhibiting activity of an amylin receptor by administering to a subject in need thereof a therapeutically effective amount of an amylin receptor antagonist.

  本公开提供了含非肽杂环的胰岛素类受体拮抗剂化合物，包括该类化合物的组合物，用于制备和使用胰岛素类受体拮抗剂的方法，以及含有胰岛素类受体拮抗剂的组合物，用于治疗、预防或改善阿尔茨海默病。本公开的方面包括通过向需要的受试者投与治疗有效量的胰岛素类受体拮抗剂来抑制胰岛素类受体活性的方法。