3-[(Z)-Hydroxyimino]-2,4-dioxo-4-(2,4,6-trimethyl-phenyl)-butyric acid ethyl ester | 203870-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(Z)-Hydroxyimino]-2,4-dioxo-4-(2,4,6-trimethyl-phenyl)-butyric acid ethyl ester
• 英文别名: ethyl 3-hydroxyimino-2,4-dioxo-4-(2,4,6-trimethylphenyl)butanoate
• CAS: 203870-52-4
• 化学式: C₁₅H₁₇NO₅
• 分子量: 291.304
• InChiKey: GKOXJVKYYOLYGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.76
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.03
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-[(Z)-Hydroxyimino]-2,4-dioxo-4-(2,4,6-trimethyl-phenyl)-butyric acid ethyl ester 在 吡啶 、 sodium dithionite 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 [5-Methyl-2-propyl-3-(2,4,6-trimethyl-phenyl)-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-dipropyl-amine
  参考文献：
  名称：

  3-芳基吡唑并[4，3-d]嘧啶衍生物：非肽CRF-1拮抗剂。

  摘要：

  描述了一系列3-芳基吡唑并[4,3-d]嘧啶类化合物作为潜在的促肾上腺皮质激素释放因子（CRF-1）拮抗剂的合成。研究了取代基对芳环，氨基和吡唑环对CRF-1受体结合的影响。

  DOI：

  10.1016/s0960-894x(02)00358-x
• 作为产物：
  描述：

  2′,4′,6′-三甲基苯乙酮 在 三氧化二氮 、 sodium hydride 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 3-[(Z)-Hydroxyimino]-2,4-dioxo-4-(2,4,6-trimethyl-phenyl)-butyric acid ethyl ester
  参考文献：
  名称：

  3-芳基吡唑并[4，3-d]嘧啶衍生物：非肽CRF-1拮抗剂。

  摘要：

  描述了一系列3-芳基吡唑并[4,3-d]嘧啶类化合物作为潜在的促肾上腺皮质激素释放因子（CRF-1）拮抗剂的合成。研究了取代基对芳环，氨基和吡唑环对CRF-1受体结合的影响。

  DOI：

  10.1016/s0960-894x(02)00358-x

文献信息

• 3-aryl substituted pyrazolo[4,3-D]pyrimidine derivatives; corticotropin-releasing factor receptor (CRF1) specific ligands
  申请人：——

  公开号：US20020058668A1

  公开（公告）日：2002-05-16

  This invention encompasses compounds of the formula 1 wherein Ar represents a mono-, di- or trisubstituted aryl group where at least one position on Ar ortho to the point of attachment to the pyrazole ring is substituted; and R 1 represents lower alkyl; R2 is hydrogen or lower alkyl; and R 3 and R 4 independently represent organic and inorganic substituents, which compounds are highly selective partial agonists or antagonists at human CRF 1 receptors and are useful in the diagnosis and treatment of treating stress related disorders such as post traumatic stress disorder (PTSD) as well as depression, headache and anxiety.

  本发明涵盖了以下式子的化合物： 其中，Ar代表单取代、双取代或三取代芳基基团，其中至少一个位置在Ar上与吡唑环的连接点正交，并被取代；R1代表低碳基；R2为氢或低碳基；R3和R4分别独立地代表有机和无机取代基，这些化合物在人类CRF1受体上高度选择性地部分激动剂或拮抗剂，并且在诊断和治疗应激相关疾病，如创伤后应激障碍（PTSD）、抑郁症、头痛和焦虑症方面非常有用。
• 3-aryl substituted pyrazolo\x9b4,3-d!pyrimidine derivatives;
  申请人：Neurogen Corporation

  公开号：US05723608A1

  公开（公告）日：1998-03-03

  This invention encompasses compounds of the formula ##STR1## wherein Ar represents a mono-, di- or trisubstituted aryl group where at least one position on Ar ortho to the point of attachment to the pyrazole ring is substituted; and R.sub.1 represents lower alkyl; R.sub.2 is hydrogen or lower alkyl; and R.sub.3 and R.sub.4 independently represent organic and inorganic substituents, which compounds are highly selective partial agonists or antagonists at human CRF.sub.1 receptors and are useful in the diagnosis and treatment of treating stress related disorders such as post traumatic stress disorder (PTSD) as well as depression, headache and anxiety.

  本发明涵盖了式子##STR1##的化合物，其中Ar代表一个单取代、双取代或三取代的芳基基团，其中至少一个位置在Ar上与吡唑环的连接点正交，被取代; R.sub.1代表低碳基; R.sub.2是氢或低碳基; R.sub.3和R.sub.4独立地代表有机和无机取代基，这些化合物在人CRF.sub.1受体上是高度选择性的部分激动剂或拮抗剂，并且在诊断和治疗与压力相关的疾病，如创伤后应激障碍（PTSD），以及抑郁症，头痛和焦虑方面是有用的。
• 3-aryl substituted pyrazolo[4,3-D]pyrimidine derivatives; corticotropin-releasing factor receptor (CRF1) specific ligands
  申请人：Neurogen Corporation

  公开号：US06548509B2

  公开（公告）日：2003-04-15

  This invention encompasses compounds of the formula wherein Ar represents a mono-, di- or trisubstituted aryl group where at least one position on Ar ortho to the point of attachment to the pyrazole ring is substituted; and R1 represents lower alkyl; R2 is hydrogen or lower alkyl; and R3 and R4 independently represent organic and inorganic substituents, which compounds are highly selective partial agonists or antagonists at human CRF1 receptors and are useful in the diagnosis and treatment of treating stress related disorders such as post traumatic stress disorder (PTSD) as well as depression, headache and anxiety.

  本发明涉及化合物的公式，其中Ar代表一个单取代、双取代或三取代芳基，其中至少一个位置在Ar上与吡唑环的连接点正交，被取代；R1代表低碳基；R2代表氢或低碳基；R3和R4独立地代表有机和无机取代基。这些化合物是高度选择性的人类CRF1受体部分激动剂或拮抗剂，可用于诊断和治疗与压力相关的疾病，如创伤后应激障碍（PTSD）、抑郁症、头痛和焦虑症。
• 3-aryl substituted pyrazolo[4,3-d]pyrimidine deriviatives; corticotropin-releasing factor receptor (CRF1) specific ligands
  申请人：Neurogen Corporation

  公开号：US06211187B1

  公开（公告）日：2001-04-03

  This invention encompasses compounds of the formula wherein Ar represents a mono- , di- or trisubstituted aryl group where at least one position on Ar ortho to the point of attachment to the pyrazole ring is substituted; and R1 represents lower alkyl; R2 is hydrogen or lower alkyl; and R3 and R4 independently represent organic and inorganic substituents, which compounds are highly selective partial agonists or antagonists or human CRF1 receptors and are useful in the diagnosis and treatment of treating stress related disorders such as post traumatic stress disorder (PTSD) as well as depression, headache and anxiety.

  本发明涵盖了以下式子的化合物： 其中，Ar代表一个单取代、双取代或三取代芳基，其中至少一个位置在与吡唑环连接的点的邻位上被取代；而R1代表低碳基；R2是氢或低碳基；而R3和R4独立地代表有机和无机取代基。这些化合物是高度选择性的CRF1受体部分激动剂或拮抗剂，可用于诊断和治疗与压力相关的疾病，例如创伤后应激障碍（PTSD）、抑郁症、头痛和焦虑症。
• 3-Aryl pyrazolo[4,3-d]pyrimidine derivatives
  作者：Jun Yuan、Michael Gulianello、Stéphane De Lombaert、Robbin Brodbeck、Andrzej Kieltyka、Kevin J. Hodgetts

  DOI：10.1016/s0960-894x(02)00358-x

  日期：2002.8

  The synthesis of a series of 3-aryl pyrazolo[4,3-d]pyrimidines as potential corticotropin-releasing factor (CRF-1) antagonists is described. The effects of substitution on the aromatic ring, the amino group and the pyrazolo ring on CRF-1 receptor binding were investigated.

  描述了一系列3-芳基吡唑并[4,3-d]嘧啶类化合物作为潜在的促肾上腺皮质激素释放因子（CRF-1）拮抗剂的合成。研究了取代基对芳环，氨基和吡唑环对CRF-1受体结合的影响。