3-氮杂双环[3.2.1]辛烷-8-醇 | 1331847-92-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 3-氮杂双环[3.2.1]辛烷-8-醇
• 英文名称: 3-azabicyclo[3.2.1]octan-8-ol
• CAS: 1331847-92-7
• 化学式: C₇H₁₃NO
• mdl: MFCD24369250
• 分子量: 127.186
• InChiKey: XPZYBFOYRKOKPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-fluoro-5-((3,4,5-trifluorophenyl)carbamoyl)benzenesulfonyl chloride 、 3-氮杂双环[3.2.1]辛烷-8-醇 在 三乙胺 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and anti-HBV activity of NVR3-778 derivatives

  摘要：

  NVR3-778, one of the most advanced capsid assembly modulators (CAMs), is currently in phase II clinical trial for the treatment of HBV infection. In this study, we reported the first structure optimization of NVR3-778. Compound 2d was found to exhibit more potent anti-HBV activity (IC50: 0.25 mu M), lower cytotoxicity (CC50: 10.68 mu M) and higher selectivity index (SI: 40.72) than NVR3-778 (IC50: 0.33 mu M; CC50: 5.14 mu M; SI: 18.36) in vitro, and also display similar inhibitory effect on the assembly of HBV capsids as NVR3-778. Molecular docking further suggested that compound 2d might form a stronger interaction with core protein. Moreover, compound 2d also showed acceptable pharmacokinetic profiles. Currently compound 2d was selected as a new lead for further modifications, and studies to determine the in vivo anti-HBV studies of 2d will begin soon.

  DOI：

  10.1016/j.bioorg.2019.103363

文献信息

• [EN] PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6<br/>[FR] COMPOSÉS DE LA PYRROLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DES CDK4/6
  申请人：NOVARTIS AG

  公开号：WO2011101409A1

  公开（公告）日：2011-08-25

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R1, R2Y, R4, R8- R11, A and L are defined herein and to salts, including pharmaceutically acceptable salts thereof. The compounds of the present invention are CDK4/6 inhibitors and could be useful in the treatment of diseases and disorders mediated by CDK4/6, such as cancer, including mantle cell lymphoma, liposarcoma, non small cell lung cancer, melanoma, squamous cell esophageal cancer and breast cancer. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CDK4/6 activity and to the treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及一种新型吡咯吡嘧啶化合物，其化学式为（I），其中R1、R2Y、R4、R8-R11、A和L的定义如下，以及其盐，包括其药用可接受盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和紊乱，如癌症，包括袍细胞淋巴瘤、脂肪肉瘤、非小细胞肺癌、黑色素瘤、鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的药物组合物。此外，本发明还涉及通过使用本发明化合物或包含本发明化合物的药物组合物来抑制CDK4/6活性和治疗相关疾病的方法。
• 6-phenylpyridyl-2-amine derivatives useful as NOS inhibitors
  申请人：——

  公开号：US20020032191A1

  公开（公告）日：2002-03-14

  The present invention relates to 6-phenyl-pyridin-2-ylamine derivatives of the formula 1 wherein G, R 1 and R 2 are defined as in the specification, that exhibit activity as nitric oxide synthase (NOS) inhibitors, to pharmaceutical compositions containing them, and to their use in the treatment and prevention of central nervous system and other disorders.

  本发明涉及公式1中的6-苯基吡啶-2-基胺衍生物， 其中G，R1和R2如规范中所定义，具有作为一氧化氮合酶（NOS）抑制剂的活性，以及包含它们的制药组合物，并用于治疗和预防中枢神经系统和其他疾病的用途。
• 6-Phenylpyridyl-2-amine derivatives useful as NOS inhibitors
  申请人：Pfizer Inc

  公开号：US20040142924A1

  公开（公告）日：2004-07-22

  The present invention relates to 6-phenyl-pyridin-2-ylamine derivatives of the formula 1 wherein G, R 1 and R 2 are defined as in the specification, that exhibit activity as nitric oxide synthase (NOS) inhibitors, to pharmaceutical compositions containing them, and to their use in the treatment and prevention of central nervous system and other disorders.

  本发明涉及公式1中G、R1和R2如规范中定义的6-苯基-吡啶-2-基胺衍生物，它们表现出一定的一氧化氮合酶（NOS）抑制剂活性，以及包含它们的制药组合物和它们在治疗和预防中枢神经系统和其他疾病中的应用。
• PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6
  申请人：Brain Christopher Thomas

  公开号：US20130150342A1

  公开（公告）日：2013-06-13

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R 1 , R 2Y , R 4 , R 8 -R 11 , A and L are defined herein and to salts, including pharmaceutically acceptable salts thereof. The compounds of the present invention are CDK4/6 inhibitors and could be useful in the treatment of diseases and disorders mediated by CDK4/6, such as cancer, including mantle cell lymphoma, liposarcoma, non small cell lung cancer, melanoma, squamous cell esophageal cancer and breast cancer. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CDK4/6 activity and to the treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及公式（I）的新型吡咯并嘧啶化合物，其中R1，R2Y，R4，R8-R11，A和L在此处定义，并且包括其盐，包括医药上可接受的盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和障碍，如癌症，包括曼托细胞淋巴瘤，脂肪肉瘤，非小细胞肺癌，黑色素瘤，鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制CDK4/6活性和治疗与之相关的障碍的方法。
• [EN] 2-AMINOQUINAZOLINES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF<br/>[FR] 2-AMINOQUINAZOLINES SERVANT D'INHIBITEURS DE LRRK2, COMPOSITIONS PHARMACEUTIQUES ET LEURS UTILISATIONS
  申请人：MERCK SHARP & DOHME

  公开号：WO2022051337A1

  公开（公告）日：2022-03-10

  The present invention is directed to certain 2-aminoquinzaoline derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein R1, R3, R4,X1, and X2 are as defined herein, which are potent inhibitors of LRRK2 kinase and may be useful in the treatment or prevention of diseases in which the LRRK2 kinase is involved, such as Parkinson's Disease and other diseases and disorders described herein. 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 LRRK-2 kinase is involved.

  本发明涉及公式（I）所示的某些2-氨基喹唑啉衍生物及其药学上可接受的盐，其中R1、R3、R4、X1和X2的定义如本文所述，这些衍生物是LRRK2激酶的有效抑制剂，可用于治疗或预防LRRK2激酶参与的疾病，例如帕金森病和其他本文所述的疾病和疾病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗LRRK-2激酶参与的这些疾病中使用这些化合物和组合物。