1H-pyrrolo<1,2-a><1,4>benzodiazepine | 34392-40-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 1H-pyrrolo<1,2-a><1,4>benzodiazepine
• 英文别名: 6H-benzo[f]pyrrolo[1,2-a][1,4]diazepine；6H-Pyrrolo-<1,2-a><1,4>benzodiazepin；6H-Pyrrol-<1,2-a><1,4>benzodiazepin；6H-pyrrolo[1,2-a][1,4]benzodiazepine
• CAS: 34392-40-0
• 化学式: C₁₂H₁₀N₂
• 分子量: 182.225
• InChiKey: OEMBYOGOFLHLIR-UHFFFAOYSA-N

物化性质

• 沸点：
  351.3±31.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  17.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-亚甲基-1-(对甲苯磺酰基)甲胺 、 1H-pyrrolo<1,2-a><1,4>benzodiazepine 在 正丁基锂 作用下， 生成 5H-Imidazo<2,1-c>pyrrolo<1,2-a><1,4>benzodiazepine
  参考文献：
  名称：

  Massa, Silvio; Santo, Roberto Di; Costi, Roberta, Journal of Heterocyclic Chemistry, 1993, vol. 30, # 3, p. 749 - 754

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(1-吡咯基)苄胺 在 三氯氧磷 作用下， 反应 22.0h， 生成 1H-pyrrolo<1,2-a><1,4>benzodiazepine
  参考文献：
  名称：

  Massa, Silvio; Santo, Roberto Di; Costi, Roberta, Journal of Heterocyclic Chemistry, 1993, vol. 30, # 3, p. 749 - 754

  摘要：

  DOI：

文献信息

• [EN] NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]- BENZODIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH BICYCLIC BENZENE DERIVATIVES<br/>[FR] NOUVELLES 5,6-DIHYDRO-4H-PYRROLO-[1,2-A][1,4]BENZODIAZÉPINES ET 6H-PYRROLO[1,2-A][1,4]BENZODIAZÉPINES ANTIFONGIQUES SUBSTITUÉES PAR DES DÉRIVÉS BICYCLIQUES DU BENZÈNE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2012084804A1

  公开（公告）日：2012-06-28

  The present invention is concerned with novel antifungal 5,6-dihydro-4H-pyrrolo- [1,2-a][1,4]benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with bicyclic benzene derivatives of Formula (I) wherein R1, R2, R3, R4, R5, R6 and R7 have the meaning defined in the claims. The compounds according to the present invention are active mainly against dermatophytes and systemic fungal infections. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及一种新型抗真菌5,6-二氢-4H-吡咯- [1,2-a][1,4]苯并二氮杂环和6H-吡咯- [1,2-a][1,4]苯并二氮杂环，其被取代为公式（I）中的双环苯衍生物，其中R1，R2，R3，R4，R5，R6和R7具有权利要求中定义的含义。根据本发明的化合物主要对抗皮肤癣和系统性真菌感染具有活性。该发明还涉及制备这种新型化合物的工艺、含有该化合物作为活性成分的药物组合物以及将该化合物用作药物的用途。
• [EN] NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES<br/>[FR] NOUVELLES 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]BENZODIAZÉPINES ET 6H-PYRROLO[1,2-A][1,4]BENZODIAZÉPINES SUBSTITUÉES PAR DES DÉRIVÉS HÉTÉROCYCLIQUES ANTIFONGIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2012150305A1

  公开（公告）日：2012-11-08

  The present invention is concerned with novel antifungal 5,6-dihydro-4H-pyrrolo- [1,2-a][1,4]benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives of Formula (I) wherein R1, R2, R3, R4 and Het have the meaning defined in the claims. The compounds according to the present invention are active mainly against dermatophytes and systemic fungal infections. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及一种新型抗真菌5,6-二氢-4H-吡咯并[1,2-a][1,4]苯二氮杂环和6H-吡咯并[1,2-a][1,4]苯二氮杂环，其被杂环衍生物取代的化合物，其化学结构如下所示（I）式，其中R1、R2、R3、R4和Het在权利要求中定义了含义。根据本发明的化合物主要对皮肤真菌和全身真菌感染具有活性。本发明还涉及制备这种新型化合物的方法，包括将这些化合物作为活性成分的药物组合物以及将这些化合物用作药物的用途。
• [EN] ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES SUBSTITUTED WITH PHENYL DERIVATIVES<br/>[FR] 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]-BENZODIAZÉPINES ET 6H-PYRROLO[1,2-A][1,4]BENZODIAZÉPINES ANTIFONGIQUES SUBSTITUÉES AVEC DES DÉRIVÉS DE PHÉNYLE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2012069380A1

  公开（公告）日：2012-05-31

  The present invention is concerned with novel antifungal 5,6-dihydro-4H-pyrrolo-[1,2-a][1,4]benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines of Formula (I) wherein R1, R2, R3, R4, R5 and R6 have the meaning defined in the claims. The compounds according to the present invention are active mainly against dermatophytes and systemic fungal infections. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及新型抗真菌5,6-二氢-4H-吡咯并[1,2-a][1,4]苯二氮杂环己烷和6H-吡咯并[1,2-a][1,4]苯二氮杂环己烷，其化学式为(I)，其中R1、R2、R3、R4、R5和R6的含义如权利要求中定义的。根据本发明的化合物主要对抗皮肤真菌和全身性真菌感染有效。本发明还涉及制备这种新型化合物的方法，包含该化合物作为活性成分的药物组合物，以及将该化合物用作药物的用途。
• NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO-DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES
  申请人：Meerpoel Lieven

  公开号：US20140045827A1

  公开（公告）日：2014-02-13

  The present invention is concerned with novel antifungal 5,6-dihydro-4H-pyrrolo-[1,2-a][1,4]benzodiazepines and 6H-pyrrolo[1,2-a][1,4]benzodiazepines substituted with heterocyclic derivatives of Formula (I) wherein R 1 , R 2 , R 3 , R 4 and Het have the meaning defined in the claims. The compounds according to the present invention are active mainly against dermatophytes and systemic fungal infections. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及一种新型抗真菌5,6-二氢-4H-吡咯并-[1,2-a][1,4]苯二氮杂环和6H-吡咯并[1,2-a][1,4]苯二氮杂环，其取代有Formula (I)中的杂环衍生物的R1、R2、R3、R4和Het的含义如权利要求中所定义。根据本发明的化合物主要对抗皮肤真菌和全身真菌感染有效。本发明还涉及制备这种新型化合物的方法，含有该化合物作为活性成分的药物组合物，以及将该化合物用作药物的用途。
• ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-A][1,4]-BENZODIAZEPINES AND 6H-PYRROLO[1,2-A][1,4]BENZODIAZEPINES SUBSTITUTED WITH PHENYL DERIVATIVES
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2643324A1

  公开（公告）日：2013-10-02