1-(3,8-二氮杂双环[3.2.1]辛-8-基)乙酮 | 67572-28-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 1-(3,8-二氮杂双环[3.2.1]辛-8-基)乙酮
• 英文名称: 1-(3,8-diazabicyclo[3.2.1]octan-8-yl)ethan-1-one
• 英文别名: 8-acetyl-3,8-diaza-bicyclo[3.2.1]octane；1-(3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
• CAS: 67572-28-5
• 化学式: C₈H₁₄N₂O
• 分子量: 154.212
• InChiKey: AQUCDZZCANBRFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3,8-二氮杂双环[3.2.1]辛-8-基)乙酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 palladium 10% on activated carbon 、 氢气 、 caesium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 生成 N-(3-((2-((4-(8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methoxyphenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acrylamide
  参考文献：
  名称：

  Tyrosine Kinase Inhibitor And Uses Thereof

  摘要：

  公开了一种公式(I)的化合物或其药物可接受的盐、酯或溶剂，或它们的立体异构体，可用作酪氨酸激酶抑制剂。还公开了制备该化合物的方法、包含该化合物的药物组合物和套件，以及该化合物的用途。该化合物可用作酪氨酸激酶抑制剂，或可用于减少或抑制细胞中EGFR或其突变体的活性，例如包含T790M突变的EGFR突变体，或用于治疗和/或预防与EGFR过度活动相关的疾病，如癌症。

  公开号：

  US20170112833A1
• 作为产物：
  描述：

  3-Boc-3,8-二氮杂双环[3.2.1]辛烷 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 1-(3,8-二氮杂双环[3.2.1]辛-8-基)乙酮
  参考文献：
  名称：

  Tyrosine Kinase Inhibitor And Uses Thereof

  摘要：

  公开了一种公式(I)的化合物或其药物可接受的盐、酯或溶剂，或它们的立体异构体，可用作酪氨酸激酶抑制剂。还公开了制备该化合物的方法、包含该化合物的药物组合物和套件，以及该化合物的用途。该化合物可用作酪氨酸激酶抑制剂，或可用于减少或抑制细胞中EGFR或其突变体的活性，例如包含T790M突变的EGFR突变体，或用于治疗和/或预防与EGFR过度活动相关的疾病，如癌症。

  公开号：

  US20170112833A1

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。
• [EN] COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE<br/>[FR] COMPOSÉS POSSÉDANT DEUX GROUPEMENTS HÉTÉROARYLE BICYCLIQUES CONDENSÉS EN TANT QUE MODULATEURS DE LA LEUCOTRIÈNE A4 HYDROLASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2010132599A1

  公开（公告）日：2010-11-18

  Compounds with two fused bicyclic heteroaryl moieties of formula I and their pharmaceutical compositions, and methods of using them as leukotriene A4 hydrolase (LTA4H) modulators and for the treatment of diseases, disorders and conditions mediated by LTA4H.

  具有式I中两个融合的双环杂环芳基部分的化合物及其药物组合物，以及将它们用作白三烯A4水解酶（LTA4H）调节剂，并用于治疗由LTA4H介导的疾病、紊乱和病况的方法。
• 3-8-diazabicyclo \x9b3.2.1! octane derivatives having analgesic activity
  申请人：Riace Establishment

  公开号：US05672601A1

  公开（公告）日：1997-09-30

  Compounds of general formula (I) ##STR1## wherein R and R.sub.1, different from each other, are a straight or branched C.sub.2 -C.sub.8 acyl group; a group of formula --CH.sub.2 -- (A)--B wherein: A is a single bond between two carbon atoms, or a group of formula --CH--CH, --CH.sub.2 --CO--, B is a C.sub.6 -C.sub.10 aryl group, optionally substituted, at the ortho-meta- and para-positions, with one or more substituents, which are the same or different, selected from the group consisting of CONHR, carboxyl, cyano, nitro, NHCOR; an aromatic heterocyclic or alicyclic group with 5 or 6 members in the ring, optionally benzocondensed, having at least one heteroatom selected from nitrogen, oxygen, sulfur, said heterocyclic group optionally having one or more substituents as described above for the aryl group; with the proviso that when one of R or R.sub.1 is the propionyl group, the other can not be the cinnamyl group or the p-nitrocinnamyl group, and when R is the propionyl group, R.sub.1 cannot be o-, or m-nitrocinnamyl; and the pharmaceutically acceptable salts thereof. Compounds of formula (I) have central analgesic activity.

  通式（I）的化合物 ##STR1## 其中R和R.sub.1互不相同，是直链或支链的C.sub.2-C.sub.8酰基；公式--CH.sub.2--（A）--B的基团，其中：A是两个碳原子之间的单键，或者是公式--CH--CH，--CH.sub.2--CO--的基团，B是C.sub.6-C.sub.10芳基基团，可以在邻、间、对位上用一个或多个取代基替换，所述取代基是相同或不同的，选自由CONHR、羧基、氰基、硝基、NHCOR组成的群；带有5或6个成员的环的芳香杂环或脂环基团，可以是苯并的，具有至少一个从氮、氧、硫中选择的杂原子，所述杂环基团可以具有上述芳基基团的一个或多个取代基；但是当R或R.sub.1之一为丙酰基时，另一个不能为肉桂酰基或对硝基肉桂酰基，当R为丙酰基时，R.sub.1不能为o-或m-硝基肉桂酰基；以及其药学上可接受的盐。公式（I）的化合物具有中枢镇痛活性。
• 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。
• Pyrrolopyrimidine compounds as inhibitors of CDK4/6
  申请人：Brain Christopher Thomas

  公开号：US08957074B2

  公开（公告）日：2015-02-17

  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的吡咯吡嗪化合物，其化学式为(I)，其中R1、R2Y、R4、R8-R11、A和L的定义如本文所述，并且包括其盐，包括药学上可接受的盐。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活性和治疗相关障碍的方法。