5-戊基-1,3-二氢-苯并咪唑-2-酮 | 100253-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 5-戊基-1,3-二氢-苯并咪唑-2-酮
• 英文名称: 5-pentyl-1,3-dihydro-benzimidazol-2-one
• 英文别名: 5-Pentyl-1,3-dihydro-benzimidazol-2-on；5-Pentyl-1,3-dihydrobenzimidazol-2-one
• CAS: 100253-32-5
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: FJKSVJDJBRNKCB-UHFFFAOYSA-N

物化性质

• 沸点：
  233.0±10.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-羟基苯并咪唑 在 二硫化碳 、 三氯化铝 、 乙醇 、 copper oxide-chromium oxide 作用下， 生成 5-戊基-1,3-二氢-苯并咪唑-2-酮
  参考文献：
  名称：

  Synthesis of Some Substituted Benzoxazolones

  摘要：

  DOI：

  10.1021/ja01540a038

文献信息

• Therapeutic molecules and methods-1
  申请人：Morand Francis Eric

  公开号：US20060154977A1

  公开（公告）日：2006-07-13

  Methods of inhibiting the cytokine or biological activity of Macrophage Migration Inhibitory Factor (MIF) comprising contacting MIF with a compound of formula (I) as defined herein, is provided. The invention also relates to methods of treating diseases or conditions where MIF cytokine or biological activity is implicated comprising administration of compounds of formula (I), either alone or as part of a combination therapy. Novel heterocyclic compounds are also provided for.

  本发明提供了抑制细胞因子或巨噬细胞迁移抑制因子（MIF）生物活性的方法，包括将MIF与公式（I）所定义的化合物接触。本发明还涉及治疗MIF细胞因子或生物活性参与的疾病或病况的方法，包括单独或作为联合治疗的一部分，给予公式（I）化合物。此外，还提供了新的杂环化合物。
• Benzimidazolones and analogues
  申请人：——

  公开号：US20020115853A1

  公开（公告）日：2002-08-22

  The present invention provides compounds and pharmaceutical formulations useful as progesterone receptor agonists and antagonists and having the general formula: 1 wherein: A is O, S, or NR 4 ; B is a bond or CR 5 R 6 ; R 4 , R 5 , and R 6 are H, C 1 to C 6 alkyl, C 2 to C 6 alkenyl, C 2 to C 6 alkynyl, C 3 to C 8 cycloalkyl, C 3 to C 8 cycloalkyl, aryl, or heterocyclic ring, or R 4 and R 5 form a 5 to 7 membered ring; R 1 is H, OH, NH 2 , C 1 to C 6 alkyl, C 3 to C 6 alkenyl, alkynyl, or COR A ; R 2 is H, halogen, CN, NO 2 , C 1 to C 6 alkyl, C 1 to C 6 alkoxy, or C 1 to C 6 aminoalkyl; R 3 is a substituted benzene ring or heterocyclic ring; Q is O, S, NR 8 , or CR 9 R 10 ; or a pharmaceutically acceptable salt thereof The invention also includes methods of contraception and methods of treating or preventing maladies associated with the progesterone receptor.

  本发明提供了具有以下一般式的化合物和药物配方，可用作孕激素受体激动剂和拮抗剂：1其中：A为O、S或NR4；B为键或CR5R6；R4、R5和R6为H、C1至C6烷基、C2至C6烯基、C2至C6炔基、C3至C8环烷基、C3至C8环烷基、芳基或杂环，或R4和R5形成5至7元环；R1为H、OH、NH2、C1至C6烷基、C3至C6烯基、炔基或CORA；R2为H、卤素、CN、NO2、C1至C6烷基、C1至C6烷氧基或C1至C6氨基烷基；R3为取代苯环或杂环；Q为O、S、NR8或CR9R10；或其药学上可接受的盐。本发明还包括避孕方法和治疗或预防与孕激素受体相关的疾病的方法。
• Contraceptive methods using benzimidazolones
  申请人：——

  公开号：US20020151531A1

  公开（公告）日：2002-10-17

  This invention relates to cyclic combination therapies and regimens utilizing indoline compounds which are antagonists of the progesterone receptor and having the general structure: 1 A is O, S, or NR 4 ; B is a bond or CR 5 R 6 ; R 4 , to R 6 are H, C 1 to C 6 alkyl, C 2 to C 6 alkenyl, C 2 to C 6 alkynyl, C 3 to C 8 cycloalkyl, aryl, or heterocyclic, or R 4 and R 5 are fused to form a ring; R 1 is H, OH, NH 2 , C 1 to C 6 alkyl, C 3 to C 6 alkenyl, alkynyl, or COR A ; R A is as defined; R 2 is H, halogen, CN, NO 2 , C 1 to C 6 alkyl, C 1 to C 6 alkoxy, or C 1 to C 6 aminoalkyl; R 3 is a substituted benzene ring, or heteroaromatic ring, in combination with a progestational agent and/or an estrogen to treat or prevent secondary amenorrhea, dysfunctional bleeding, uterine leiomyomata, endometriosis, polycystic ovary syndrome, carcinomas and adenocarcinomas, and contraception, among others.

  本发明涉及使用拮抗孕激素受体的吲哚啉化合物进行循环组合疗法和方案，其具有一般结构：1A为O、S或NR4；B为键或CR5R6；R4至R6为H、C1至C6烷基、C2至C6烯基、C2至C6炔基、C3至C8环烷基、芳基或杂环基，或R4和R5融合形成环；R1为H、OH、NH2、C1至C6烷基、C3至C6烯基、炔基或CORA；RA如定义；R2为H、卤素、CN、NO2、C1至C6烷基、C1至C6烷氧基或C1至C6氨基烷基；R3为取代苯环或杂芳环，与孕激素类药物和/或雌激素联合治疗或预防继发性闭经、功能性出血、子宫平滑肌瘤、子宫内膜异位症、多囊卵巢综合征、癌瘤和腺癌、避孕等。
• Therapeutic Molecules and Methods-1
  申请人：Morand Eric Francis

  公开号：US20100323999A1

  公开（公告）日：2010-12-23

  Methods of inhibiting the cytokine or biological activity of Macrophage Migration Inhibitory Factor (MIF) comprising contacting MIF with a compound of formula (I) as defined herein, is provided. The invention also relates to methods of treating diseases or conditions where MIF cytokine or biological activity is implicated comprising administration of compounds of formula (I), either alone or as part of a combination therapy. Novel heterocyclic compounds are also provided for.

  提供一种抑制巨噬细胞迁移抑制因子（MIF）细胞因子或生物活性的方法，包括将MIF与公式（I）所定义的化合物接触。本发明还涉及治疗与MIF细胞因子或生物活性有关的疾病或病况的方法，包括单独或作为联合治疗的一部分给予公式（I）化合物。还提供了新型杂环化合物。
• COMPOSITIONS CONTAINING BENZIMIDAZOLONES AND PROGESTOGENS
  申请人：American Home Products Corporation

  公开号：EP1173213A1

  公开（公告）日：2002-01-23