1-MS-4-Boc-氨基哌啶 | 287953-38-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-MS-4-Boc-氨基哌啶
• 中文别名: 1-MS-4-BOC-氨基哌啶；(1-(甲基磺酰基)哌啶-4-基)氨基甲酸叔丁酯
• 英文名称: (1-methanesulfonylpiperidin-4-yl)carbamic acid tert-butyl ester
• 英文别名: tert-Butyl (1-(methylsulfonyl)piperidin-4-yl)carbamate；tert-butyl N-(1-methylsulfonylpiperidin-4-yl)carbamate
• CAS: 287953-38-2
• 化学式: C₁₁H₂₂N₂O₄S
• 分子量: 278.373
• InChiKey: BVSNHVUSSUREGZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  1-MS-4-Boc-氨基哌啶 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 6.0h， 生成 [4-氨基-2-[(1-甲磺酰基哌啶-4-基)氨基]嘧啶-5-基](2,3-二氟-6-甲氧基苯基)甲酮
  参考文献：
  名称：

  Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,3-difluoro-6- methoxyphenyl)methanone (R547), A Potent and Selective Cyclin-Dependent Kinase Inhibitor with Significant in Vivo Antitumor Activity

  摘要：

  The cyclin-dependent kinases (CDKs) and their cyclin partners are key regulators of the cell cycle. Since deregulation of CDKs is found with high frequency in many human cancer cells, pharmacological inhibition of CDKs with small molecules has the potential to provide an effective strategy for the treatment of cancer. The 2,4-diamino-5-ketopyrimidines 6 reported here represent a novel class of potent and ATP-competitive inhibitors that selectively target the cyclin-dependent kinase family. This diaminopyrimidine core with a substituted 4-piperidine moiety on the C2-amino position and 2-methoxybenzoyl at the C5 position has been identified as the critical structure responsible for the CDK inhibitory activity. Further optimization has led to a good number of analogues that show potent inhibitory activities against CDK1, CDK2, and CDK4 but are inactive against a large panel of serine/threonine and tyrosine kinases (K-i > 10 AM). As one of these representative analogues, compound 39 (R547) has the best CDK inhibitory activities (K-i = 0.001, 0.003, and 0.001 AM for CDK1, CDK2, and CDK4, respectively) and excellent in vitro cellular potency, inhibiting the growth of various human tumor cell lines including an HCT116 cell line (IC50 = 0.08 mu M). An X-ray crystal structure of 39 bound to CDK2 has been determined in this study, revealing a binding mode that is consistent with our SAR. Compound 39 demonstrates significant in vivo efficacy in the HCT116 human colorectal tumor xenograft model in nude mice with up to 95% tumor growth inhibition. On the basis of its superior overall profile, 39 was chosen for further evaluation and has progressed into Phase I clinical trial for the treatment of cancer.

  DOI：

  10.1021/jm0606138
• 作为产物：
  描述：

  甲基磺酰氯 、 4-叔丁氧羰基氨基哌啶 在 吡啶 、 乙酸乙酯 、 柠檬酸 、 magnesium sulfate 、 乙醚 作用下， 以 吡啶 为溶剂， 反应 18.0h， 以to obtain 1.19 g of t-butyl[1-(methylsulfonyl)piperidin-4-yl]carbamate as a white solid的产率得到1-MS-4-Boc-氨基哌啶
  参考文献：
  名称：

  TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF

  摘要：

  [问题] 提供一种药物，特别是一种可用作治疗肠易激综合征（IBS）的治疗剂。 [解决问题的方法] 发现一种在4位具有酰胺基团或其药学上可接受的盐的四氢异喹啉-1-酮衍生物具有优异的肽释放因子2（BB2）受体拮抗作用。还发现四氢异喹啉-1-酮衍生物对肠道运动障碍非常有效。由此可见，本发明的四氢异喹啉-1-酮衍生物对与BB2受体相关的疾病，特别是IBS，具有治疗剂的用途。

  公开号：

  US20100227866A1

文献信息

• HETEROCYCLIC COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2261213A1

  公开（公告）日：2010-12-15

  The present invention provides to a compound having melanin-concentrating hormone receptor antagonistic action and low toxicity, and useful as a agent for the prophylaxis or treatment of obesity and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有黑色素浓集激素受体拮抗作用和低毒性的化合物，可用作预防或治疗肥胖等疾病的药剂。本发明涉及一种由下式（I）表示的化合物：其中每个符号如规范中定义的，或其盐。
• NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE
  申请人：ITEOS THERAPEUTICS

  公开号：US20150225367A1

  公开（公告）日：2015-08-13

  The present invention relates to compound of Formula I or pharmaceutically acceptable enantiomers, salts or solvates thereof. The invention further relates to the use of the compounds of Formula I as TDO2 inhibitors. The invention also relates to the use of the compounds of Formula I for the treatment and/or prevention of cancer, neurodegenerative disorders such as Parkinson's disease, Alzheimer's disease and Huntington's disease, chronic viral infections such as HCV and HIV, depression, and obesity. The invention also relates to a process for manufacturing compounds of Formula I.

  本发明涉及公式I的化合物或其药用可接受的对映体、盐或溶剂化物。该发明进一步涉及将公式I的化合物用作TDO2抑制剂。该发明还涉及将公式I的化合物用于治疗和/或预防癌症、帕金森病、阿尔茨海默病和亨廷顿病等神经退行性疾病、慢性病毒感染如HCV和HIV、抑郁症以及肥胖症。该发明还涉及一种制造公式I化合物的方法。
• (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles
  申请人：Riether Doris

  公开号：US08865744B1

  公开（公告）日：2014-10-21

  Disclosed are (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles and their use as CB2 cannabinoid receptor agonists, pharmaceutical compositions containing the same, and their use for the treatment of CB2 receptor mediated disorders or conditions.

  本文揭示了（氰基-二甲基-甲基）-异噁唑和-[1,3,4]噻二唑及其作为CB2大麻素受体激动剂的用途，包含相同化合物的药物组合物，以及它们用于治疗CB2受体介导的疾病或症状的用途。
• [EN] NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES<br/>[FR] NOUVEAUX (CYANO-DIMÉTHYL-MÉTHYL)-ISOXAZOLES ET -[1,3,4]THIADIAZOLES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014184327A1

  公开（公告）日：2014-11-20

  This invention relates to novel (Cyano-dimethyl-methyl)-isoxazolesand -[1,3,4]thiadiazoles and their use as CB2 cannabinoid receptor agonists, pharmaceutical compositions containing the same, and their use for the treatment of CB2 receptor mediated disorders or conditions.

  这项发明涉及新型(Cyano-二甲基-甲基)-异噁唑和-[1,3,4]噻二唑以及它们作为CB2大麻素受体激动剂的用途，含有它们的药物组合物，以及它们用于治疗CB2受体介导的疾病或症状的用途。
• 2,6-Diaminopyridine derivatives
  申请人：Bartkovitz Joseph David

  公开号：US20060014708A1

  公开（公告）日：2006-01-19

  Novel 2,6-diaminopyridine derivatives of formula wherein R 1 and R 2 are as defined below, are disclosed. These compounds inhibit cyclin-dependent kinases. These compounds and their pharmaceutically acceptable salts and esters have antiproliferative activity and are useful in the treatment or control of cancer, in particular solid tumors. This invention is also directed to pharmaceutical compositions containing such compounds and to methods of treating or controlling cancer, most particularly the treatment or control of breast, lung, colon and prostate tumors. Also disclosed are intermediates useful in the preparation of these novel 2,6-diaminopyridine derivatives.

  本发明涉及一种新型2,6-二氨基吡啶衍生物，其化学式如下，其中R1和R2的定义如下，这些化合物能够抑制细胞周期依赖的激酶。这些化合物及其药学上可接受的盐和酯具有抗增殖活性，并可用于治疗或控制癌症，尤其是固体肿瘤。本发明还涉及含有这些化合物的药物组合物以及治疗或控制癌症的方法，尤其是治疗或控制乳腺、肺、结肠和前列腺肿瘤。还公开了在制备这些新型2,6-二氨基吡啶衍生物中有用的中间体。