6-Hydroxy-6-methyl-1-heptanethiol | 163274-29-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-Hydroxy-6-methyl-1-heptanethiol
• 英文别名: 2-Methyl-7-sulfanylheptan-2-ol
• CAS: 163274-29-1
• 化学式: C₈H₁₈OS
• 分子量: 162.296
• InChiKey: PGUNPGVDWWKQOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-chloro-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile 、 6-Hydroxy-6-methyl-1-heptanethiol 在 碳酸氢钠 作用下， 以 二甲基亚砜 为溶剂， 生成 2-(6-hydroxy-6-methylheptylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
  参考文献：
  名称：

  3-Cyano-6-(5-methyl-3-pyrazoloamino)pyridines: Selective Aurora A kinase inhibitors

  摘要：

  A new class of Aurora A kinase inhibitor was created by transforming 4-(5-methyl-3-pyrazoloamino)pyrimidine moiety of VX-680 to 3-cyano-6-(5-methyl-3pyrazoloamino)pyridine. Compound 6 exhibited a potent Aurora A kinase inhibitory activity, excellent selectivity to Aurora B kinase and other 60 kinases, good cell permeability and good PK profile. Therefore compound 6 was effective in antitumor mice model at a dose of 30 mg/kg po qd without decrease of body weight. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.04.119
• 作为产物：
  描述：

  6-溴己酸乙酯 生成 6-Hydroxy-6-methyl-1-heptanethiol
  参考文献：
  名称：

  22-Thiavitamin D.sub.3 derivatives

  摘要：

  通式为：##STR1## 其中R.sub.1代表一个可被一个或多个羟基取代的C1-10烷基基团，R.sub.2代表氢原子或羟基，R.sub.3代表氢原子或羟基；其中间体；以及这些化合物和中间体的合成过程被揭示。本发明的化合物，维生素D衍生物在22位点被硫原子取代，对角质细胞增殖具有强烈的抑制作用。

  公开号：

  US05824811A1

文献信息

• 22-THIAVITAMIN D 3 DERIVATIVE
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP0755922A1

  公开（公告）日：1997-01-29

  A compound represented by general formula (I) and an intermediate therefor, and a process for synthesizing the both, wherein R1 represents optionally hydroxylated C1-C10 alkyl; R2 represents hydrogen or hydroxy; and R3 represents hydrogen or hydroxy. It is a vitamin D derivative substituted by a sulfur atom at the 22-position and has a potent keratinocyte growth inhibitor effect.

  一种由通式（I）代表的化合物及其中间体，以及合成二者的工艺，其中 R1 代表任选羟基化的 C1-C10 烷基；R2 代表氢或羟基；R3 代表氢或羟基。 它是一种在 22 位被硫原子取代的维生素 D 衍生物，具有强效的角朊细胞生长抑制作用。
• 22-THIAVITAMIN D3 DERIVATIVE
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP0755922B1

  公开（公告）日：2000-08-16
• US5824811A
  申请人：——

  公开号：US5824811A

  公开（公告）日：1998-10-20
• 22-Thiavitamin D.sub.3 derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US05824811A1

  公开（公告）日：1998-10-20

  Compounds of the general formula: ##STR1## wherein R.sub.1 represents a C1-10 alkyl group which may be substituted by one or more hydroxyl groups, R.sub.2 represents a hydrogen atom or a hydroxyl group, and R.sub.3 represents a hydrogen atom or a hydroxyl group; their intermediates; as well as synthesis processes of these compounds and intermediates are disclosed. The compounds of this invention, vitamin D derivatives substituted by sulfur atoms at the 22-position have a strong inhibitory effect against proliferation of keratinocytes.

  通式为：##STR1## 其中R.sub.1代表一个可被一个或多个羟基取代的C1-10烷基基团，R.sub.2代表氢原子或羟基，R.sub.3代表氢原子或羟基；其中间体；以及这些化合物和中间体的合成过程被揭示。本发明的化合物，维生素D衍生物在22位点被硫原子取代，对角质细胞增殖具有强烈的抑制作用。
• 3-Cyano-6-(5-methyl-3-pyrazoloamino)pyridines: Selective Aurora A kinase inhibitors
  作者：Ryoichi Ando、Hiroshi Ikegami、Makoto Sakiyama、Shinsuke Ooike、Masayuki Hayashi、Yasuhiro Fujino、Daisuke Abe、Hideo Nakamura、Tadashi Mishina、Harutoshi Kato、Yumiko Iwase、Hideo Tomozane、Masahiko Morioka

  DOI：10.1016/j.bmcl.2010.04.119

  日期：2010.8

  A new class of Aurora A kinase inhibitor was created by transforming 4-(5-methyl-3-pyrazoloamino)pyrimidine moiety of VX-680 to 3-cyano-6-(5-methyl-3pyrazoloamino)pyridine. Compound 6 exhibited a potent Aurora A kinase inhibitory activity, excellent selectivity to Aurora B kinase and other 60 kinases, good cell permeability and good PK profile. Therefore compound 6 was effective in antitumor mice model at a dose of 30 mg/kg po qd without decrease of body weight. (C) 2010 Published by Elsevier Ltd.