(S)-2-羟基甲基哌嗪 | 126872-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: (S)-2-羟基甲基哌嗪
• 英文名称: (S)-piperazine-2-ylmethanol
• 英文别名: (S)-2-hydroxymethylpiperazine；(S)-2-Piperazinemethanol；(S)-piperazin-2-ylmethanol；(S)-2-Hydroxymethyl-piperazine；[(2S)-piperazin-2-yl]methanol
• CAS: 126872-94-4
• 化学式: C₅H₁₂N₂O
• 分子量: 116.163
• InChiKey: SIRSTRHGFGFVME-YFKPBYRVSA-N

物化性质

• 沸点：
  234.5±20.0 °C(Predicted)
• 密度：
  0.992±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-羟基甲基哌嗪 在 氨 、 乙酸酐 、 sodium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 (S)-4-Acetyl-2-piperazinemethanol
  参考文献：
  名称：

  Chemical compounds

  摘要：

  公开了式（I）的化合物 ##STR1## 其中R.sub.1代表--COR.sub.4，--CO.sub.2 R.sub.4，--COCO.sub.2 R.sub.4或--CONR.sub.4 R.sub.5（其中R.sub.4和R.sub.5可以相同或不同，代表氢原子或C.sub.1-3烷基）；R.sub.2代表氢原子或羟基或氧代基，但当R.sub.1为--COR.sub.4，--CO.sub.2 R.sub.4或--COCO.sub.2 R.sub.4时，R.sub.2不是氢原子；R.sub.3代表氢原子或羟基；X代表直接键，--CH.sub.2--或--CH.sub.2 O--；Ar代表取代的苯基基团；以及其生理上可接受的盐。这些化合物被指出在治疗疼痛方面有用。还公开了它们的制备方法和含有它们的制药组合物。

  公开号：

  US05116842A1
• 作为产物：
  描述：

  (S)-(4-苄基哌嗪-2-基)甲醇 在 palladium hydroxide on carbon 氢气 作用下， 以 甲醇 为溶剂， 生成 (S)-2-羟基甲基哌嗪
  参考文献：
  名称：

  WO2008/89005

  摘要：

  公开号：

文献信息

• Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function
  申请人：Balog Aaron James

  公开号：US20070088039A1

  公开（公告）日：2007-04-19

  The present invention is directed to compounds having the formula (I), and/or pharmaceutically-acceptable salts thereof, useful in the treatment of androgen-receptor associated conditions, wherein Ar is aryl, substituted aryl, heteroaryl, or substituted heteroaryl; L is a linker as defined in the specification; R 1 may be hydrogen, cyano, alkyl, substituted alkyl, aryl, substituted aryl, cycloalkyl, substituted cycloalkyl, heterocyclo, substituted heterocyclo, heteroaryl, or substituted heteroaryl, as defined in the specification; R 2 is hydrogen, lower alkyl, or substituted lower alkyl; and R 3 , R 4 and R 5 are optionally non-interfering substituents as defined in the specification.

  本发明涉及具有以下式(I)的化合物和/或其药学上可接受的盐，用于治疗雄激素受体相关疾病，其中Ar是芳基、取代芳基、杂芳基或取代杂芳基；L是规范中定义的连接物；R1可能是氢、氰基、烷基、取代烷基、芳基、取代芳基、环烷基、取代环烷基、杂环烷基、取代杂环烷基、杂芳基或取代杂芳基，如规范中所定义；R2是氢、较低烷基或取代较低烷基；R3、R4和R5是根据规范定义的可选的非干扰取代基。
• Piperazine compounds
  申请人：Glaxo Group Limited

  公开号：US04943578A1

  公开（公告）日：1990-07-24

  Compounds are disclosed of formula (I) ##STR1## wherein R.sub.1 represents --COR.sub.4, --CO.sub.2 R.sub.4 or --COCO.sub.2 R.sub.4 (where R.sub.4 represents a hydrogen atom or an unsubstituted or substituted C.sub.1-10 hydrocarbon moiety); R.sub.2 and R.sub.3 are the same or different and are C.sub.1-6 alkyl or C.sub.3-6 alkenyl; or --NR.sub.2 R.sub.3 forms a 5-membered (optionally containing an oxygen atom adjacent to the nitrogen) or 6-membered ring, which ring optionally contains one unit of unsaturation and which is unsubstituted or substituted by optionally substituted methylidene, --COR.sub.5 (where R.sub.5 represents C.sub.1-6 alkyl, --OR.sub.6 or --NHR.sub.6 and R.sub.6 represents hydrogen, C.sub.1-6 alkyl, aryl, or ar(C.sub.1-6)alkyl, or N.dbd.NOR.sub.7 (where R.sub.7 represents C.sub.1-6 alkyl); X represents a direct bond, --CH.sub.2 -- or --CH.sub.2 O--; Ar represents a substituted phenyl moiety; and physiologically acceptable salts thereof. The compounds are indicated as useful in the treatment of pain and cerebral ischaemia. Processes and intermediates for their preparation and pharmaceutical compositions containing them are also disclosed.

  公开了式(I)的化合物：##STR1## 其中R.sub.1代表--COR.sub.4，--CO.sub.2 R.sub.4或--COCO.sub.2 R.sub.4（其中R.sub.4代表氢原子或未取代或取代的C.sub.1-10烃基）; R.sub.2和R.sub.3相同或不同，为C.sub.1-6烷基或C.sub.3-6烯基; 或--NR.sub.2 R.sub.3形成5-成员（可选包含氮原子相邻的氧原子）或6-成员环，该环可选包含一种不饱和单元，且未取代或取代为可选取代的甲基亚甲基，--COR.sub.5（其中R.sub.5代表C.sub.1-6烷基，--OR.sub.6或--NHR.sub.6，R.sub.6代表氢，C.sub.1-6烷基，芳基或ar（C.sub.1-6）烷基，或N.dbd.NOR.sub.7（其中R.sub.7代表C.sub.1-6烷基）; X代表直接键，--CH.sub.2--或--CH.sub.2 O--; Ar代表取代苯基基团;以及其生理上可接受的盐。这些化合物被指示用于疼痛和脑缺血的治疗。还公开了它们的制备过程和中间体以及含有它们的制药组合物。
• Fused heterocyclic compound and medicinal use thereof
  申请人：——

  公开号：US20040176361A1

  公开（公告）日：2004-09-09

  The fused heterocyclic compound of the present invention, which is represented by the formula (I): 1 wherein each symbol is as defined in the specification, an optically active form thereof, a pharmaceutically acceptable salt thereof, a hydrate thereof and a water adduct thereof show poly(ADP-ribose) synthase inhibitory action and are useful as therapeutic drugs for cerebral infarction.

  本发明的融合杂环化合物，由式(I)表示：1其中每个符号如规范中所定义，其光学活性形式，其药学上可接受的盐，其水合物和水加合物均表现出聚(ADP-核糖)合酶抑制作用，并且可用作治疗脑梗塞的治疗药物。
• 细胞周期蛋白调节剂
  申请人：[en]EUBULUS BIOTHERAPEUTICS INC.;[zh]嘉兴优博生物技术有限公司

  公开号：WO2024041661A1

  公开（公告）日：2024-02-29

  本发明提供了一种细胞周期蛋白调节剂。具体地，本发明提供了一种如式（I）所示的化合物或其药学上可接受的盐。
• Imidazoquinoxaline Src-Family Kinase p56^Lck Inhibitors:  SAR, QSAR, and the Discovery of (<i>S</i>)-<i>N</i>-(2-Chloro-6-methylphenyl)-2-(3-methyl-1-piperazinyl)imidazo- [1,5-<i>a</i>]pyrido[3,2-<i>e</i>]pyrazin-6-amine (BMS-279700) as a Potent and Orally Active Inhibitor with Excellent in Vivo Antiinflammatory Activity
  作者：Ping Chen、Arthur M. Doweyko、Derek Norris、Henry H. Gu、Steven H. Spergel、Jagabundhu Das、Robert V. Moquin、James Lin、John Wityak、Edwin J. Iwanowicz、Kim W. McIntyre、David J. Shuster、Kamelia Behnia、Saeho Chong、Henry de Fex、Suhong Pang、Sydney Pitt、Ding Ren Shen、Sara Thrall、Paul Stanley、Octavian R. Kocy、Mark R. Witmer、Steven B. Kanner、Gary L. Schieven、Joel C. Barrish

  DOI：10.1021/jm030217e

  日期：2004.8.1

  A series of novel anilino 5-azaimidazoquinoxaline analogues possessing potent in vitro activity against p56(Lck) and T cell proliferation have been discovered. Subsequent SAR studies led to the identification of compound 4 (BMS-279700) as an orally active lead candidate that blocks the production of proinflammatory cytokines (IL-2 and TNFalpha) in vivo. In addition, an expanded set of imidazoquinoxalines provided several descriptive QSAR models highlighting the influence of significant steric and electronic features. The H-bonding (Met319) contribution to observed binding affinities within a tightly congeneric series was found to be significant.