2,3,4-三羟基苄基肼甲氧化物 | 3614-72-0

• 物质功能分类: 有机原料 - 肼或胲的有机衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,3,4-三羟基苄基肼甲氧化物
• 英文名称: 2,3,4-trihydroxybenzylhydrazine
• 英文别名: Ro 04-5127；4-(hydrazinylmethyl)benzene-1,2,3-triol
• CAS: 3614-72-0
• 化学式: C₇H₁₀N₂O₃
• mdl: MFCD08063734
• 分子量: 170.168
• InChiKey: BARUGVIPWPSKOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  491.4±45.0 °C(Predicted)
• 密度：
  1.498±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（轻微、超声处理）、甲醇（非常轻微、加热、超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  98.7
• 氢给体数：
  5
• 氢受体数：
  5

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  2,3,4-三羟基苄基肼甲氧化物 、 DL-丝氨酸甲酯盐酸盐 以 甲醇 为溶剂， 以82 %的产率得到盐酸卞丝肼
  参考文献：
  名称：

  CN117142978

  摘要：

  公开号：
• 作为产物：
  描述：

  2,3,4-三羟基苯甲醛 在 一水合肼 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以92 %的产率得到2,3,4-三羟基苄基肼甲氧化物
  参考文献：
  名称：

  CN117142978

  摘要：

  公开号：

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，多巴脱羧酶抑制剂或多巴胺-&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（如谷氨酸衍生物）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钠潴留相关的疾病（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;-羟化酶抑制剂的谷氨酰衍生物，其中N-乙酰-&ggr;-谷氨酰富萨酸肼（如下图所示）是首选。1
• [EN] PHARMACEUTICAL COMPOSITIONS
  申请人：AL-DAMLUJI, Saad

  公开号：WO1989001774A1

  公开（公告）日：1989-03-09

  (EN) A pharmaceutical composition which comprises a mixture of an alpha-2 adrenoceptor antagonist, preferably idazoxan, or a pharmaceutically acceptable salt thereof, and either a catecholamine precursor or an inhibitor of aromatic L-amino acid decarboxylase, preferably carbidopa. The compositions can be used for treatment of endogenous depression or low blood pressure.(FR) Composition pharmaceutique comprenant un mélange d'un antagoniste d'adrenocepteur alpha-2, de préférence de l'idazoxan ou un sel pharmaceutiquement acceptable de celui-ci, et soit un précurseur de cathécholamine soit un inhibiteur de décarboxylase d'acide aminé-L aromatique, de préférence du carbidopa. On peut utiliser les compositions pour le traitement de dépressions endogènes ou de la pression sanguine basse.

  一种药物组合物，包含了α-2肾上腺素受体拮抗剂的混合物，优选为伊达唑啉或其药学上可接受的盐，以及儿茶酚胺前体或芳香族L-氨基酸脱羧酶抑制剂，优选为卡比多巴。该组合物可用于治疗内源性抑郁症或低血压。
• 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（例如谷氨酸衍生物）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钠潴留相关的疾病（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-羟化酶抑制剂的谷氨酰衍生物，其中N-乙酰-γ-谷氨酰菌核酸酸肼（如下图所示）是首选。1
• Modulation of cellular DNA repair activity to intercept malignancy
  申请人：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY

  公开号：US10188617B2

  公开（公告）日：2019-01-29

  Disclosed herein are methods for identifying compounds that enhance base excision repair, as well as compounds identified thereby and methods of using such compounds in the interception of malignancy, i.e. the prevention of progression of a disease from a state of susceptibility to active disease. Exemplified compounds are acetohexamide and related compounds, as well as benserazide and analogs thereof. Exemplified malignancies are those of human breast cells carrying mutations, in particular, SUM149 cells and HCC1937 cells, which cells carry BRCA1 mutations.

  本文公开了用于鉴定可增强碱基切除修复的化合物的方法，以及由此鉴定出的化合物和将此类化合物用于阻断恶性肿瘤的方法，即防止疾病从易感状态发展为活动性疾病的方法。示例化合物是乙酰己酰胺和相关化合物，以及苄丝肼及其类似物。示例性恶性肿瘤是携带突变的人类乳腺细胞，特别是携带 BRCA1 突变的 SUM149 细胞和 HCC1937 细胞。
• 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