5-<4-<(tert-butylamino)carbonyl>phenyl>-6,7-dihydro-5H-pyrrolo<1,2-c>imidazole | 102676-64-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-<4-<(tert-butylamino)carbonyl>phenyl>-6,7-dihydro-5H-pyrrolo<1,2-c>imidazole
• 英文别名: 5H-5-(4-tert-butylaminocarbonylphenyl)-6,7-dihydropyrrolo[1,2-c]imidazole；N-tert-butyl-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzamide
• CAS: 102676-64-2
• 化学式: C₁₇H₂₁N₃O
• 分子量: 283.373
• InChiKey: VHUBPBKWAZIQCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-<4-<(tert-butylamino)carbonyl>phenyl>-6,7-dihydro-5H-pyrrolo<1,2-c>imidazole 生成 4-(6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)benzonitrile
  参考文献：
  名称：

  BROWNE, LESLIE J.

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基3-(1H-咪唑-4-基)丙酸酯盐酸盐 在 正丁基锂 、 氯化亚砜 、 二异丁基氢化铝 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 36.58h， 生成 5-<4-<(tert-butylamino)carbonyl>phenyl>-6,7-dihydro-5H-pyrrolo<1,2-c>imidazole
  参考文献：
  名称：

  Fadrozole hydrochloride: a potent, selective, nonsteroidal inhibitor of aromatase for the treatment of estrogen-dependent disease

  摘要：

  A new class of potent, selective, nonsteroidal inhibitors of aromatase have been discovered. The most potent member of this series is fadrozole hydrochloride, CGS 16949 A, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile monohydrochloride, 26a. In addition, the 6,7-dihydropyrrolo[1,2-c]imidazole (21a) and the 6,7,8,9-tetrahydroimidazo[1,5-a]azepine (21b) analogues were synthesized and evaluated. CGS 16949 A's ability to selectively inhibit aromatase (IC50 = 4.5nM) over other cytochrome P-450 enzymes and suppress estrogen production when administered orally make it a suitable candidate to test the potential of an aromatase inhibitor in estrogen-dependent diseases including breast cancer.

  DOI：

  10.1021/jm00106a038

文献信息

• Verwendung von bicyclischen Imidazol-Verbindungen zur Behandlung von Hyperaldosteronismus
  申请人：CIBA-GEIGY AG

  公开号：EP0366609A2

  公开（公告）日：1990-05-02

  Die Erfindung betrifft die Verwendung von gewissen bicyclischen Imidazol-­Verbindungen, wie 5-(p-Cyanphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]-­pyridin, oder pharmazeutisch verwendbaren, nicht-toxischen Salzen davon zur Behandlung von Hyperaldosteronismus, bzw. ein Verfahren zur Behand­lung von Hyperaldosteronismus unter Verwendung von solchen Verbindungen, bzw. die Verwendung dieser Verbindungen zur Herstellung von pharmazeu­tischen Präparaten für die Behandlung von Hyperaldosteronismus.

  本发明涉及某些双环咪唑化合物，如5-(对氰基苯基)-5,6,7,8-四氢咪唑并[1,5-a]-吡啶，或其药学上可接受的无毒盐用于治疗高醛固酮症，或使用此类化合物治疗高醛固酮症的方法，或使用这些化合物制造治疗高醛固酮症的药物组合物。
• Aromatase inhibition to enhance assisted reproduction
  申请人：ARES TRADING S.A.

  公开号：EP1759734A2

  公开（公告）日：2007-03-07

  The use of at least one aromatase inhibitor in the production of a medicament for improving the implantation and pregnancy rates for a female undergoing assisted reproduction treatment, which comprises one or more daily doses of an aromatase inhibitor (Al) for administration during assisted reproduction cycles or ovarian stimulation cycles, wherein the doses of AI are selected from amounts effective to reduce serum estradiol levels. Also disclosed are related pharmaceutical preparations and packages.

  使用至少一种芳香化酶抑制剂生产一种药物，用于提高接受辅助生殖治疗的女性的着床率和妊娠率，该药物包括一种或多种每日剂量的芳香化酶抑制剂（Al），用于在辅助生殖周期或卵巢刺激周期期间给药，其中AI的剂量选自有效降低血清雌二醇水平的量。还公开了相关的药物制剂和包装。
• Single dose aromatase inhibitor for treating infertility
  申请人：——

  公开号：US20040171660A1

  公开（公告）日：2004-09-02

  The use of an aromatase inhibitor (AI) in the preparation of a medicament for use in inducing ovulation in a female suffering from anovulatory infertility which comprises administering to said female a single dose of the at least one aromatase inhibitor. The use of an aromatase inhibitor (AI) for the preparation of a medicament comprising a single dose of at least one aromatase inhibitor (AI) for administration to an ovulating female suffering from unexplained infertility or other types of ovulatory infertility early in one or more menstrual cycles. Such a medicament may also be administered to an anovulatory female in combination with a plurality of daily doses of follicle stimulating hormone (FSH) whereby the dosage levels of FSH may be reduced. The use of AI in the preparation of a medicament for administration to a female who is a poor responder to FSH, which comprises a combination of a single dose of AI with a plurality of daily doses of FSH is also disclosed. The related pharmaceutical preparations and packages are also described.

  芳香化酶抑制剂(AI)在制备用于诱导患有无排卵性不孕症的女性排卵的药物中的用途，包括向所述女性施用单剂量的至少一种芳香化酶抑制剂。芳香化酶抑制剂(AI)的用途，用于制备一种包含单剂量至少一种芳香化酶抑制剂(AI)的药剂，给患有不明原因不孕症或其他类型排卵性不孕症的排卵期女性在一个或多个月经周期的早期给药。这种药物也可与多种每日剂量的促卵泡激素（FSH）联合用于无排卵女性，从而降低促卵泡激素的剂量水平。此外，还公开了 AI 在制备用于对 FSH 反应不佳的女性的药物中的用途，该药物包括单剂量 AI 与多剂量每日 FSH 的组合。还描述了相关的药物制剂和包装。
• Multiple dose aromatase inhibitor for treating infertility
  申请人：——

  公开号：US20040235804A1

  公开（公告）日：2004-11-25

  A method of inducing ovulation in a female suffering from anovulatory infertility which comprises administering to said female two or more daily doses of at least one aromatase inhibitor. A method for augmenting ovulation in an ovulating female suffering from unexplained infertility or another type of ovulatory infertility which comprises administering to said female two or more daily doses of at least one aromatase inhibitor early in one or more menstrual cycles. A method of substantially reducing dosage levels of follicle stimulating hormone (FSH) for administration to a female undergoing infertility treatment which comprises administering a combination of two or more daily doses of at least one aromatase inhibitor (AI) with a plurality of daily doses of follicle stimulating hormone (FSH). A method of increasing response to a follicle stimulating hormone from a female who is a poor responder to follicle stimulation, which comprises administering a combination of two or more daily doses or at least one aromatase inhibitor (AI) with a plurality of daily doses of follicle stimulating hormone (FSH). Also disclosed are related pharmaceutical preparations and uses.

  一种诱导无排卵性不孕症女性排卵的方法，包括向所述女性施用两种或两种以上每日剂量的至少一种芳香化酶抑制剂。一种促进患有不明原因不孕症或另一种排卵性不孕症的女性排卵的方法，包括在一个或多个月经周期的早期给所述女性服用两个或多个每日剂量的至少一种芳香化酶抑制剂。一种大幅降低促卵泡激素(FSH)剂量水平的方法，用于对接受不孕治疗的女性用药，该方法包括将两种或两种以上日剂量的至少一种芳香化酶抑制剂(AI)与多种日剂量的促卵泡激素(FSH)联合用药。一种增加对卵泡刺激反应差的女性对卵泡刺激激素的反应的方法，它包括给药两种或两种以上每日剂量或至少一种芳香化酶抑制剂（AI）与多种每日剂量的卵泡刺激激素（FSH）的组合。还公开了相关的药物制剂和用途。
• Pharmaceutical composition comprisng an aromatase inhibitor and an estrogen suitable for hormone replacement therapy for a male
  申请人：——

  公开号：US20040235812A1

  公开（公告）日：2004-11-25

  A pharmaceutical preparation for males for increasing physiologic endogenous testosterone comprising at least one aromatase inhbitor and an estrogen and methods of use thereof for increasing male libido are provided.

  本研究提供了一种用于增加男性生理性内源性睾酮的药物制剂，该制剂包含至少一种芳香化酶抑制剂和一种雌激素，并提供了增加男性性欲的使用方法。