6-hydroxy-5-nitro-naphthalene-2-carboxylic acid methyl ester | 634197-12-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-hydroxy-5-nitro-naphthalene-2-carboxylic acid methyl ester
• 英文别名: methyl 6-hydroxy-5-nitro-2-naphthoate；Methyl 6-hydroxy-5-nitronaphthalene-2-carboxylate
• CAS: 634197-12-9
• 化学式: C₁₂H₉NO₅
• 分子量: 247.207
• InChiKey: AVCYAFWDASFXER-UHFFFAOYSA-N

物化性质

• 沸点：
  394.6±27.0 °C(Predicted)
• 密度：
  1.439±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-hydroxy-5-nitro-naphthalene-2-carboxylic acid methyl ester 、 三氟甲磺酸 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 19.0h， 生成 5-nitro-6-trifluoromethanesulfonyloxy-naphthalene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2006/80477

  摘要：

  公开号：
• 作为产物：
  描述：

  6-羟基-2-萘甲酯 反应 1.0h， 生成 6-hydroxy-5-nitro-naphthalene-2-carboxylic acid methyl ester
  参考文献：
  名称：

  [EN] NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)
  [FR] DERIVES DE NAPHTALENE QUI INHIBENT LA CYTOKINE OU L'ACTIVITE BIOLOGIQUE DU FACTEUR INHIBITEUR DE MIGRATION DU MACROPHAGE

  摘要：

  在规范中定义的Y、R1-R8和R101-R108，化合物的化学式(II)和抑制巨噬细胞迁移抑制因子(MIF)细胞因子或生物活性的方法包括将MIF与化学式(I)的化合物接触。该发明还涉及治疗MIF细胞因子或生物活性涉及的疾病或病况的方法，包括给予化学式(I)的化合物，单独或作为联合治疗的一部分。

  公开号：

  WO2003104178A1

文献信息

• Napththalene derivatives which inhibit the cytokine or biological activity of microphage migration inhibitory factor (mif)
  申请人：Morand Francis Eric

  公开号：US20060106102A1

  公开（公告）日：2006-05-18

  Where Y, R 1 -R 8 and R 101 -R 108 are as defined in the specification. Compounds of formula (II) and methods of inhibiting the cytokine or biological activity of Macrophage Migrating Inhibitory Factor (MIF) comprising contacting MIF with a compound of formula (I) are provided. The invention also relates to methods of treating diseases or conditions where MIF cytokine or biological activity is implicated comprising administration of compounds of formula (1), either alone or as part of a combination therapy.

  本发明提供了式(II)化合物及抑制巨噬细胞迁移抑制因子(MIF)细胞因子或生物活性的方法，其中Y，R1-R8和R101-R108如规范中定义。该方法包括将MIF与式(I)化合物接触。本发明还涉及治疗MIF细胞因子或生物活性所涉及的疾病或病症的方法，包括单独或作为联合治疗的一部分给予式(1)化合物。
• Norvaline Derivative and Method for Preparation Thereof
  申请人：Harada Naoyuki

  公开号：US20080076769A1

  公开（公告）日：2008-03-27

  Norvaline derivative of the formula [I] or pharmaceutically acceptable salt thereof, method for preparing the same, pharmaceutical composition containing the same, and use of said compound for inhibiting transporting activity of glycine transporter type 2 (GlyT2). [wherein X is —CH 2 —, —O—, —S— or single bond; Ar is optionally substituted aryl or lower cycloalkyl; n is 0 to 2; R 1 and R 2 are (i) each is hydrogen or lower alkyl; (ii) R 1 and R 2 are combined to form lower alkylene; or (iii) R 1 is hydrogen or lower alkyl and R 2 is combined with R 4 or R 6 to form lower alkylene; R 3 and R 4 are (i) each is hydrogen or lower alkyl; (ii) R 3 and R 4 are combined to form lower alkylene; or (iii) R 3 is hydrogen or lower alkyl and R 4 is combined with R 2 or R 6 to form lower alkylene; R is or —OR 7 ; R 5 and R 6 are (i) each is optionally substituted lower alkyl, or hydrogen; (ii) R 5 and R 6 are combined to form aliphatic 5- to 6-membered heterocyclic group; or (iii) R 5 is optionally substituted lower alkyl or hydrogen and R 6 is combined with R 2 or R 4 to form lower alkylene; R 7 is lower alkyl.

  Norvaline衍生物的化学式[I]或其药学上可接受的盐，制备方法，含有该化合物的药物组合物，以及用于抑制甘氨酸转运体2型（GlyT2）的转运活性的用途。[其中X为-CH2-，-O-，-S-或单键；Ar为可选取代芳基或较低的环烷基；n为0至2；R1和R2为（i）氢或较低的烷基；（ii）R1和R2结合形成较低的烷基；或（iii）R1为氢或较低的烷基，R2与R4或R6结合形成较低的烷基；R3和R4为（i）氢或较低的烷基；（ii）R3和R4结合形成较低的烷基；或（iii）R3为氢或较低的烷基，R4与R2或R6结合形成较低的烷基；R为-OH或-OR7；R5和R6为（i）可选取代的较低烷基或氢；（ii）R5和R6结合形成脂肪族5-至6-成员杂环基；或（iii）R5为可选取代的较低烷基或氢，R6与R2或R4结合形成较低的烷基；R7为较低烷基。
• EP1549598A4
  申请人：——

  公开号：EP1549598A4

  公开（公告）日：2008-01-23
• NAPTHTHALENE DERIVATIVES WHICH INHIBIT THE CYTOKINE OR BIOLOGICAL ACTIVITY OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)
  申请人：Cortical Pty Ltd

  公开号：EP1549598A1

  公开（公告）日：2005-07-06
• NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP1846366A1

  公开（公告）日：2007-10-24