2-[(6-hydroxymethyl-2-pyridyl)methyl]isoindoline-1,3-dione | 154696-52-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[(6-hydroxymethyl-2-pyridyl)methyl]isoindoline-1,3-dione
• 英文别名: 2-{[6-(Hydroxymethyl)pyridin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione；2-[[6-(hydroxymethyl)pyridin-2-yl]methyl]isoindole-1,3-dione
• CAS: 154696-52-3
• 化学式: C₁₅H₁₂N₂O₃
• 分子量: 268.272
• InChiKey: MNAYJXBJMNCVCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  468.0±40.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  70.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[(6-hydroxymethyl-2-pyridyl)methyl]isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 {[6-(羟基甲基)-2-吡啶基]甲基}氨基甲酸叔丁酯
  参考文献：
  名称：

  Design and development of macrocyclization methods for compounds with potential tuberculocidal activity to decrease CYP450 liver cytochrome inhibition

  摘要：

  A procedure for macrocyclization of compounds with potential tuberculocidal activity was developed in order to obtaining compounds with a lower degree of inhibition of the key CYP 3A4 cytochrome.

  DOI：

  10.1134/s1070363217040107
• 作为产物：
  描述：

  6-甲基-2-吡啶基甲醇 在 偶氮二甲酸二异丙酯 、 间氯过氧苯甲酸 、 三苯基膦 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 13.0h， 生成 2-[(6-hydroxymethyl-2-pyridyl)methyl]isoindoline-1,3-dione
  参考文献：
  名称：

  Design and development of macrocyclization methods for compounds with potential tuberculocidal activity to decrease CYP450 liver cytochrome inhibition

  摘要：

  A procedure for macrocyclization of compounds with potential tuberculocidal activity was developed in order to obtaining compounds with a lower degree of inhibition of the key CYP 3A4 cytochrome.

  DOI：

  10.1134/s1070363217040107

文献信息

• Pyrimidine Compounds as Purine Receptor Antagonist
  申请人：Gillespie John Roger

  公开号：US20070281936A1

  公开（公告）日：2007-12-06

  Compounds of formula (I); wherein R 1 is H or NHZ; R 2 is optionally substituted aryl or heteroaryl attached via a carbon atom; R 3 is H; optionally substituted C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, or C 3 C 7 cycloalkyl, halogen; OH or OR, or R 4 is H, optionally substituted C 1 -C 6 alkyl, C 3 C 6 alkenyl, C 3 -C 6 alkynyl, C 3 -C 7 cycloalkyl, aryl or heteroaryl, R 5 is H or optionally substituted C 1 -C 6 alkyl, C 3 -C 6 alkenyl, C 3 -C 6 alkynyl, or C 3 -C 7 cycloalkyl; or R 4 and R 5 together form a 5 or 6-membered heterocyclic ring; and R 10 is optionally substituted C 1 -C 6 alkyl; are purine receptor, particularly adenosine receptor antagonists, useful for treatment of, inter alia, movement disorders such as Parkinsons disease.

  化合物的公式（I）;其中R1是H或NHZ; R2是通过碳原子连接的可选取代芳基或杂环芳基; R3是H; 可选取代的C1-C6烷基，C2-C6烯基，C2-C6炔基或C3C7环烷基，卤素; OH或OR，或R4是H，可选取代的C1-C6烷基，C3C6烯基，C3-C6炔基，C3-C7环烷基，芳基或杂环芳基，R5是H或可选取代的C1-C6烷基，C3-C6烯基，C3-C6炔基或C3-C7环烷基; 或R4和R5一起形成5或6元杂环环; R10是可选取代的C1-C6烷基; 是嘌呤受体，特别是腺苷受体拮抗剂，用于治疗运动障碍，如帕金森病等。
• Fornasier, Roberto; Milani, Daria; Scrimin, Paolo, Journal of the Chemical Society. Perkin transactions II, 1986, p. 233 - 238
  作者：Fornasier, Roberto、Milani, Daria、Scrimin, Paolo、Tonellato, Umberto

  DOI：——

  日期：——
• Heterocyclic aromatic compounds useful as growth hormone secretagogues
  申请人：Bristol-Myers Squibb Company

  公开号：EP2570414B1

  公开（公告）日：2017-08-30
• Heterocyclic Aromatic Compounds Useful As Growth Hormone Secretagogues
  申请人：Yu Guixue

  公开号：US20090324625A1

  公开（公告）日：2009-12-31

  Novel heterocyclic aromatic compounds are provided that are useful in stimulating endogenous production or release of growth hormone, said compounds having the general structure of formula I wherein R 1 , R 1 ′, R 2 , R 3 , R 4 , Xa, Y, Z and n are as described herein. The compounds provided herein are useful in treating obesity, osteoporosis (improving bone density) and in improving muscle mass and muscle strength.
• HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES
  申请人：Yu Guixue

  公开号：US20120252799A1

  公开（公告）日：2012-10-04

  Novel heterocyclic aromatic compounds are provided that are useful in stimulating endogenous production or release of growth hormone, said compounds having the general structure of formula I wherein R 1 , R 1 ′, R 2 , R 3 , R 4 , Xa, Y, Z and n are as described herein. The compounds provided herein are useful in treating obesity, osteoporosis (improving bone density) and in improving muscle mass and muscle strength.