racemic-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile

• 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: racemic-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
• 英文别名: 4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-yl)-3-fluorobenzonitrile；4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
• 化学式: C₁₃H₁₀FN₃
• 分子量: 227.241
• InChiKey: USUZGMWDZDXMDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  racemic-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile 生成 osilodrostat 、 (S)-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
  参考文献：
  名称：

  Organic compounds

  摘要：

  本发明提供了一种I式化合物：所述化合物是醛固酮合成酶和芳香化酶的抑制剂，因此可用于治疗由醛固酮合成酶或芳香化酶介导的疾病或疾病。因此，I式化合物可用于治疗低钾血症、高血压、充血性心力衰竭、心房颤动、肾功能衰竭，特别是慢性肾功能衰竭、再狭窄、动脉粥样硬化、X综合征、肥胖、肾病、心肌梗死后、冠心病、炎症、胶原蛋白增生、纤维化如心脏或心肌纤维化以及高血压和内皮功能障碍后的重塑，男性乳房发育过大、骨质疏松症、前列腺癌、子宫内膜异位症、子宫肌瘤、功能性子宫出血、子宫内膜增生、多囊卵巢综合征、不孕症、纤维囊性乳腺疾病、乳腺癌和纤维囊性乳房病。最后，本发明还提供了一种药物组合物。

  公开号：

  US20070049616A1
• 作为产物：
  描述：

  methyl 2-(4-cyano-2-fluorophenyl)-2-(5-(2-hydroxyethyl)-1H-imidazol-1-yl)acetate 在 potassium carbonate 、 三乙胺 、 sodium iodide 、 lithium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 39.5h， 生成 racemic-4-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)-3-fluorobenzonitrile
  参考文献：
  名称：

  Discovery and in Vivo Evaluation of Potent Dual CYP11B2 (Aldosterone Synthase) and CYP11B1 Inhibitors

  摘要：

  Aldosterone is a key signaling component of the renin-angiotensin-aldosterone system and as such has been shown to contribute to cardiovascular pathology such as hypertension and heart failure. Aldosterone synthase (CYP11B2) is responsible for the final three steps of aldosterone synthesis and thus is a viable therapeutic target A series of imidazole derived inhibitors, including clinical candidate 7n, have been identified through design and structure-activity relationship studies both in vitro and in vivo. Compound 7n was also found to be a potent inhibitor of 11 beta-hydroxylase (CYP11B1), which is responsible for cortisol production. Inhibition of CYP11B1 is being evaluated in the clinic for potential treatment of hypercortisol diseases such as Cushing's syndrome.

  DOI：

  10.1021/ml400324c

文献信息

• CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：NOVARTIS AG

  公开号：US20200164024A1

  公开（公告）日：2020-05-28

  The disclosure relates to inhibitors of PCSK9 useful in the treatment of cholesterol lipid metabolism, and other diseases in which PCSK9 plays a role, having the Formula (I): or a pharmaceutically acceptable salt, hydrate, solvate, prodrug, stereoisomer, N-oxide, or tautomer thereof, wherein R 1 , R 1 , R 1 , R 1 , R 1 , R 1 , R 1 , R 1 , R 1 , X 1 , X 2 , and X 3 are described herein.

  该披露涉及对PCSK9的抑制剂，用于治疗胆固醇脂质代谢以及其他PCSK9发挥作用的疾病，其化学式为(I)： 或其药用可接受的盐、水合物、溶剂合物、前药、立体异构体、N-氧化物或互变异构体，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、X1、X2和X3如本文所述。
• SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP
  申请人：KARKI Rajeshri Ganesh

  公开号：US20120122764A1

  公开（公告）日：2012-05-17

  The present invention provides a compound of formula I; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , B, X, m and n are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides pharmaceutical composition of compounds of the invention, and a combination of pharmacologically active agents and a compound of the invention.

  本发明提供了一种具有化学式I的化合物； 或其药学上可接受的盐，其中R 1 ，R 2 ，R 3 ，R 4 ，R 5 ，B，X，m和n在此处被定义。该发明还涉及制造该发明化合物的方法及其治疗用途。本发明进一步提供了该发明化合物的药物组合物，以及具有药理活性剂和该发明化合物的组合。
• [EN] IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZOLE EN TANT QU'INHIBITEURS DE L'ALDOSTÉRONE SYNTHASE
  申请人：NOVARTIS AG

  公开号：WO2011064376A1

  公开（公告）日：2011-06-03

  The present invention provides a compound of formula (I) or pharmaceutically acceptable salt thereof, wherein the variables R1, R2, R3, R4, R5, R7 and p are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，其中变量R1、R2、R3、R4、R5、R7和p在此处定义。该发明还涉及一种制造该发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors
  申请人：IWAKI Yuki

  公开号：US20110124695A1

  公开（公告）日：2011-05-26

  The present invention provides a compound of formula I: or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 4 , R 6 , A 1 , A 2 , X 1 , s and m are defined herein. The invention also relates to a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了以下式I的化合物： 或其药学上可接受的盐，其中R 1 ，R 2 ，R 3 ，R 4 ，R 6 ，A 1 ，A 2 ，X 1 ，s和m在此处定义。该发明还涉及制造该发明化合物的方法及其治疗用途。本发明还提供了药理活性剂的组合和药物组成。
• Solid form of 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione having specified X-ray diffraction pattern
  申请人：IP Gesellschaft für Management mbH

  公开号：EP2815749A1

  公开（公告）日：2014-12-24

  The invention relates to a packaging comprising one or more administration units comprising a solid form of 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione.

  该发明涉及一种包装，其中包括一个或多个包含4-氨基-2-(2,6-二氧代哌啶-3-基)异吲哚啉-1,3-二酮固体形式的给药单元。