2-amino-1-(4-pyridyl)propanone hydrochloride | 98377-52-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-1-(4-pyridyl)propanone hydrochloride
• 英文别名: 2-Amino-1-(pyridin-4-yl)propan-1-one hydrochloride；2-Amino-1-(4-pyridyl)-1-propanone Hydrochloride；2-amino-1-pyridin-4-ylpropan-1-one;hydrochloride
• CAS: 98377-52-7
• 化学式: C₈H₁₀N₂O*ClH
• 分子量: 186.641
• InChiKey: INILUGDFDHFNHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.03
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  56
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-amino-1-(4-pyridyl)propanone hydrochloride 在 硝酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 5-methyl-4-(4'-piridyl)imidazole
  参考文献：
  名称：

  Bioisosteric prototype design of biaryl imidazolyl and triazolyl competitive histamine H2-receptor antagonists

  摘要：

  The structural relationship of the competitive histamine H2-receptor antagonist 3-amino-5-(2-amino-4-pyridyl)-1,2,4-triazole (1) to the agonist histamine and to antagonists of the cimetidine type was explored by the design and synthesis of four series of bioisosterically designed prototypes. Biological data from these series was best interpreted as indicating a similarity between the imidazole moiety of histamine and cimetidine and the 2-amino-4-pyridyl moiety of 1. On the basis of this data, sequential replacement of 2-amino-4-pyridyl by 2-[(dimethylamino)methyl]-5-furyl and 2-guanidino-4-triazolyl moieties led to a structurally more potent series of biaryl histamine H2-receptor antagonists. The best of these, 2-methyl-4-(2-guanidino-4-thiazolyl)imidazole (29, CP-57,361-1) was 120 times more potent as a histamine H2-receptor antagonist than 1.

  DOI：

  10.1021/jm00161a005
• 作为产物：
  描述：

  1-(4-pyridyl)propanone oxime tosylate 在 盐酸 、 potassium ethoxide 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 2-amino-1-(4-pyridyl)propanone hydrochloride
  参考文献：
  名称：

  Bioisosteric prototype design of biaryl imidazolyl and triazolyl competitive histamine H2-receptor antagonists

  摘要：

  The structural relationship of the competitive histamine H2-receptor antagonist 3-amino-5-(2-amino-4-pyridyl)-1,2,4-triazole (1) to the agonist histamine and to antagonists of the cimetidine type was explored by the design and synthesis of four series of bioisosterically designed prototypes. Biological data from these series was best interpreted as indicating a similarity between the imidazole moiety of histamine and cimetidine and the 2-amino-4-pyridyl moiety of 1. On the basis of this data, sequential replacement of 2-amino-4-pyridyl by 2-[(dimethylamino)methyl]-5-furyl and 2-guanidino-4-triazolyl moieties led to a structurally more potent series of biaryl histamine H2-receptor antagonists. The best of these, 2-methyl-4-(2-guanidino-4-thiazolyl)imidazole (29, CP-57,361-1) was 120 times more potent as a histamine H2-receptor antagonist than 1.

  DOI：

  10.1021/jm00161a005

文献信息

• Piperidine derivatives, their preparation and their therapeutic
  申请人：Synthelabo

  公开号：US05280030A1

  公开（公告）日：1994-01-18

  A compound which is a piperidine derivative of general formula (I) ##STR1## in which R.sub.1 represents a hydrogen atom, a linear or branched (C.sub.1-6)alkyl group or a cyclo(C.sub.3-8)alkyl group, X represents an oxygen atom, a sulphur atom or a group of general formula N--R.sub.3 in which R.sub.3 is a hydrogen atom, or a linear or branched (C.sub.1-8)alkyl, cyclo(C.sub.3-6)alkyl, cyclo(C.sub.3-6)alkylmethyl, (C.sub.1-4)alkoxy-(C.sub.1-4)alkyl, phenyl, pyridin-4-yl, pyridin-3-yl, pyridin-4-ylmethyl or pyridin-3-ylmethyl group and Z represents a hydrogen or fluorine atom and acid addition salts thereof with pharmaceutically acceptable acids, can be used for the treatment and prevention of disorders in which 5-HT receptors are involved.

  一种化合物，是一种通式(I)的哌啶衍生物##STR1##其中R.sub.1代表氢原子，线性或支链(C.sub.1-6)烷基基团或环(C.sub.3-8)烷基基团，X代表氧原子、硫原子或通式N--R.sub.3中的基团，其中R.sub.3为氢原子，或线性或支链(C.sub.1-8)烷基、环(C.sub.3-6)烷基、环(C.sub.3-6)烷基甲基、(C.sub.1-4)烷氧基-(C.sub.1-4)烷基、苯基、吡啶-4-基、吡啶-3-基、吡啶-4-基甲基或吡啶-3-基甲基基团，Z代表氢或氟原子及其与药用酸形成的酸加盐，可用于治疗和预防涉及5-HT受体的疾病。
• US5280030A
  申请人：——

  公开号：US5280030A

  公开（公告）日：1994-01-18