6-氨甲基螺[2.5]辛烷 | 877201-35-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 6-氨甲基螺[2.5]辛烷
• 英文名称: spiro[3.5]non-6-yl-methylamine
• 英文别名: Spiro[2.5]octan-6-ylmethanamine
• CAS: 877201-35-9
• 化学式: C₉H₁₇N
• mdl: MFCD11501146
• 分子量: 139.241
• InChiKey: JEDATJQHUZRDBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921300090

反应信息

• 作为反应物：
  描述：

  6-氨甲基螺[2.5]辛烷 、 4,6-dichloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid methylamide 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 生成 4-chloro-N-methyl-2-(methylthio)-6-((spiro[2.5]octan-6-ylmethyl)amino)pyrimidine-5-carboxamide
  参考文献：
  名称：

  4-Amino-2-cyanopyrimidines: Novel scaffold for nonpeptidic cathepsin S inhibitors

  摘要：

  We describe here a novel 4-amino-2-cyanopyrimidine scaffold for nonpeptidomimetic cathepsin S selective inhibitors. Some of the synthesized compounds have sub-nanomolar potency and high selectivity toward cathepsin S along with promising pharmacokinetic and physicochemical properties. The key structural features of the inhibitors consist of a combination of a spiro[2.5]oct-6-ylmethylamine P2 group at the 4-position, a small or polar P3 group at the 5-position and/or a polar group at the 6-position of the pyrimidine. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.011
• 作为产物：
  描述：

  6-(azidomethyl)spiro[2.5]octane 在 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 10.0h， 生成 6-氨甲基螺[2.5]辛烷
  参考文献：
  名称：

  4-Amino-2-cyanopyrimidines: Novel scaffold for nonpeptidic cathepsin S inhibitors

  摘要：

  We describe here a novel 4-amino-2-cyanopyrimidine scaffold for nonpeptidomimetic cathepsin S selective inhibitors. Some of the synthesized compounds have sub-nanomolar potency and high selectivity toward cathepsin S along with promising pharmacokinetic and physicochemical properties. The key structural features of the inhibitors consist of a combination of a spiro[2.5]oct-6-ylmethylamine P2 group at the 4-position, a small or polar P3 group at the 5-position and/or a polar group at the 6-position of the pyrimidine. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.011

文献信息

• 9-AMINOMETHYL SUBSTITUTED TETRACYCLINE COMPOUNDS
  申请人：Zhang Hui

  公开号：US20140179638A1

  公开（公告）日：2014-06-26

  The present invention relates to 9-aminomethyl substituted tetracycline compounds represented by formula (I), or pharmaceutically acceptable salt, prodrug, solvate or isomer thereof, as well as a method for preparing these compounds and a pharmaceutical composition comprising the same. The present invention relates also to a use of these compounds in the preparation of a medicament for the treatment and/or prophylaxis of tetracycline drug-sensitive disease. wherein, R 2a , R 2b , R 3 , R 4a , R 4b , R 5 , R 6a , R 6b , R 7 , R 8 , R 9a , R 9b , R 10 , R 11 , R 12 , R 13a and R 13b are each independently as defined in the description.

  本发明涉及由式(I)表示的9-氨甲基取代四环素化合物，或其药学上可接受的盐、前药、溶剂化合物或异构体，以及制备这些化合物的方法和包含其的药物组合物。本发明还涉及这些化合物在制备用于治疗和/或预防四环素药物敏感疾病的药物中的用途。其中，R2a、R2b、R3、R4a、R4b、R5、R6a、R6b、R7、R8、R9a、R9b、R10、R11、R12、R13a和R13b各自独立地如描述中所定义。
• 9-AMINOMETHYL SUBSTITUTED TETRACYCLINE COMPOUND
  申请人：KBP Biosciences Co., Ltd.

  公开号：EP2738156A1

  公开（公告）日：2014-06-04

  The present invention relates to 9-aminomethyl substituted tetracycline compounds represented by formula (I), or pharmaceutically acceptable salt, prodrug, solvate or isomer thereof, as well as a method for preparing these compounds and a pharmaceutical composition comprising the same. The present invention relates also to a use of these compounds in the preparation of a medicament for the treatment and/or prophylaxis of tetracycline drug-sensitive disease. wherein, R2a, R2b, R3, R4a, R4b, R5, R6a, R6b, R7, R8, R9a, R9b, R10, R11, R12, R13a and R13b are each independently as defined in the description.

  本发明涉及由式(I)代表的9-氨甲基取代的四环素化合物，或其药学上可接受的盐、原药、溶媒或异构体，以及制备这些化合物和包含这些化合物的药物组合物的方法。本发明还涉及这些化合物在制备治疗和/或预防四环素药物敏感性疾病的药物中的用途。 其中，R2a、R2b、R3、R4a、R4b、R5、R6a、R6b、R7、R8、R9a、R9b、R10、R11、R12、R13a 和 R13b 各自独立地如描述中所定义。
• [EN] 9-AMINOMETHYL SUBSTITUTED TETRACYCLINE COMPOUND<br/>[FR] COMPOSÉ TÉTRACYCLINE SUBSTITUÉ PAR 9-AMINOMÉTHYLE
  申请人：KBP BIOSCIENCES CO LTD

  公开号：WO2013013505A1

  公开（公告）日：2013-01-31

  本发明涉及通式（I）所示的9-氨基甲基取代的四环素类化合物、其药学上可接受的盐、溶剂化物或其异构体，其中R2a、R2b、R3、R4a、R4b、R5、R6a、R6b、R7、R8、R9a、R9b、Rl0、R11、R12、R13a、R13b如说明书中所定义；本发明还涉及这些化合物的制备方法，含有这些化合物的药物组合物，以及这些化合物在制备治疗和/或预防对四环素类敏感的疾病的药物中的应用。
• Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-Cyanopyrimidines. Part 2
  作者：Osamu Irie、Takatoshi Kosaka、Masashi Kishida、Junichi Sakaki、Keiichi Masuya、Kazuhide Konishi、Fumiaki Yokokawa、Takeru Ehara、Atsuko Iwasaki、Yuki Iwaki、Yuko Hitomi、Atsushi Toyao、Hiroki Gunji、Naoki Teno、Genji Iwasaki、Hajime Hirao、Takanori Kanazawa、Keiko Tanabe、Peter C. Hiestand、Marzia Malcangio、Alyson J. Fox、Stuart J. Bevan、Mohammed Yaqoob、Andrew J. Culshaw、Terance W. Hart、Allan Hallett

  DOI：10.1016/j.bmcl.2008.08.067

  日期：2008.10

  We describe here orally active and brain-penetrant cathepsin S selective inhibitors, which are virtually devoid of hERG K(+) channel affinity, yet exhibit nanomolar potency against cathepsin S and over 100-fold selectivity to cathepsin L. The new non-peptidic inhibitors are based on a 2-cyanopyrimidine scaffold bearing a spiro[3.5] non-6-yl-methyl amine at the 4-position. The brain-penetrating cathepsin S inhibitors demonstrate potential clinical utility for the treatment of multiple sclerosis and neuropathic pain. (c) 2008 Elsevier Ltd. All rights reserved.
• US9365499B2
  申请人：——

  公开号：US9365499B2

  公开（公告）日：2016-06-14