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3-(1,4-benzoxazin-3-one-7-yl)alanine | 136485-41-1

中文名称
——
中文别名
——
英文名称
3-(1,4-benzoxazin-3-one-7-yl)alanine
英文别名
(2S)-2-amino-3-(3-oxo-4H-1,4-benzoxazin-7-yl)propanoic acid
3-(1,4-benzoxazin-3-one-7-yl)alanine化学式
CAS
136485-41-1
化学式
C11H12N2O4
mdl
——
分子量
236.227
InChiKey
ZUCQHVIRNCFTRN-ZETCQYMHSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    -2.5
  • 重原子数:
    17
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.27
  • 拓扑面积:
    102
  • 氢给体数:
    3
  • 氢受体数:
    5

文献信息

  • Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension
    申请人:G.D. Searle & Co.
    公开号:US20030220521A1
    公开(公告)日:2003-11-27
    Renal-selective prodrugs are described which are preferentially converted in the kidney to compounds capable of inhibiting synthesis of catecholamine-type neurotransmitters involved in renal sympathetic nerve activity. The prodrugs described herein are derived from inhibitor compounds capable of inhibiting one or more of the enzymes involved in catecholamine synthesis, such compounds being classifiable as tyrosine hydroxylase inhibitors, or as dopa-decarboxylase inhibitors, or as dopamine-&bgr;-hydroxylase inhibitors. These inhibitor compounds are linked to a chemical moiety, such as a glutamic acid derivative, by a cleavable bond which is recognized selectively by enzymes located predominantly in the kidney. The liberated inhibitor compound is then available in the kidney to inhibit one or more of the enzymes involved in catecholamine synthesis. Inhibition of renal catecholamine synthesis can suppress heightened renal nerve activity associated with sodium-retention related disorders such as hypertension. Conjugates of particular interest are glutamyl derivatives of dopamine-&bgr;-hydroxylase inhibitors, of which N-acetyl-&ggr;-glutamyl fusaric acid hydrazide (shown below) is preferred. 1
    本文描述了一种肾选择性的前药,其在肾脏中优先转化为能够抑制参与肾交感神经活动的儿茶酚型神经递质合成的化合物。本文所描述的前药来源于能够抑制儿茶酚合成中的一个或多个酶的抑制剂化合物,这些化合物可分类为酪氨酸羟化酶抑制剂,多巴脱羧酶抑制剂多巴胺-&bgr;-羟化酶抑制剂。这些抑制剂化合物通过可被肾脏中大量存在的酶选择性识别的可裂解键与化学基团(如谷酸衍生物)连接。释放的抑制剂化合物然后可在肾脏中用于抑制儿茶酚合成中的一个或多个酶。抑制肾脏儿茶酚合成可抑制与潴留相关的疾病(如高血压)相关的增强肾脏神经活动。特别感兴趣的共轭物是多巴胺-&bgr;-羟化酶抑制剂的谷酰衍生物,其中N-乙酰-&ggr;-谷酰富萨酸(如下图所示)是首选。1
  • Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension
    申请人:G.D. Searle & Co.
    公开号:US20040101523A1
    公开(公告)日:2004-05-27
    Renal-selective prodrugs are described which are preferentially converted in the kidney to compounds capable of inhibiting synthesis of catecholamine-type neurotransmitters involved in renal sympathetic nerve activity. The prodrugs described herein are derived from inhibitor compounds capable of inhibiting one or more of the enzymes involved in catecholamine synthesis, such compounds being classifiable as tyrosine hydroxylase inhibitors, or as dopa-decarboxylase inhibitors, or as dopamine-&bgr;-hydroxylase inhibitors. These inhibitor compounds are linked to a chemical moiety, such as a glutamic acid derivative, by a cleavable bond which is recognized selectively by enzymes located predominantly in the kidney. The liberated inhibitor compound is then available in the kidney to inhibit one or more of the enzymes involved in catecholamine synthesis. Inhibition of renal catecholamine synthesis can suppress heightened renal nerve activity associated with sodium-retention related disorders such as hypertension. Conjugates of particular interest are glutamyl derivatives of dopamine-&bgr;-hydroxylase inhibitors, of which N-acetyl-&ggr;-glutamyl fusaric acid hydrazide (shown below) is preferred. 1
    本文描述了肾脏选择性前药,这些前药被优先转化为能够抑制与肾脏交感神经活动相关的儿茶酚类神经递质合成的化合物。所述前药源自能够抑制儿茶酚类合成中涉及的一个或多个酶的抑制剂化合物,这些化合物可分类为酪氨酸羟化酶抑制剂,或多巴脱羧酶抑制剂,或是多巴胺-β-羟化酶抑制剂。这些抑制剂化合物与化学基团(例如谷酸衍生物)通过可被肾脏内的酶特异性识别的可切断键连接。被释放的抑制剂化合物随后可在肾脏中抑制一个或多个涉及儿茶酚类合成的酶。抑制肾脏儿茶酚类合成可以抑制与潴留相关的疾病(如高血压)所伴随的过度肾脏神经活动。特别感兴趣的结合物是多巴胺-β-羟化酶抑制剂的谷酰衍生物,其中N-乙酰-γ-谷酰菌核酸酸(如下图所示)是首选。1
  • RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION
    申请人:G.D. Searle & Co.
    公开号:EP0484437A1
    公开(公告)日:1992-05-13
  • EP0484437A4
    申请人:——
    公开号:EP0484437A4
    公开(公告)日:1994-06-01
  • US4065572A
    申请人:——
    公开号:US4065572A
    公开(公告)日:1977-12-27
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