5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran
• 英文别名: 3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ol；2,2,4,6,7-pentamethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran-5-ol
• 化学式: C₂₂H₂₈O₂
• 分子量: 324.463
• InChiKey: FEZRIOVBJIESPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran 生成 3[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxycarbonyl]propionic acid
  参考文献：
  名称：

  TERAO, SHINJI;MAKI, YOSHITAKA

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-2-methyl-1-(4-propan-2-ylphenyl)propan-1-ol 生成 5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran
  参考文献：
  名称：

  TERAO, SHINJI;MAKI, YOSHITAKA

  摘要：

  DOI：

文献信息

• Benzofurans as suppressors of neurodegeneration
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US07008950B1

  公开（公告）日：2006-03-07

  A compound of the formula: wherein R1 and R2 each is H or a hydrocarbon group which may be substituted, or R1 and R2 form a 3- to 8-membered carbo or heterocyclic ring which may be substituted; R3 is H, a lower alkyl which may be substituted or an aromatic group which may be substituted; R4 is (1) an aromatic group which may be substituted, (2) an aliphatic hydrocarbon group substituted by an aromatic group which may be substituted, which hydrocarbon group may be further substituted or (3) an acyl; X and Y each is oxygen or sulfur which may be oxidized; and ring A is a benzene ring which may be further substituted, or a salt thereof, is useful for an agent for suppressing neurodegeneration.

  该化合物的化学式为：其中R1和R2分别为H或可被取代的碳氢基团，或者R1和R2形成一个3至8个成员的碳氢或杂环环，该环可能被取代；R3为H，一个可被取代的低碳基或一个可被取代的芳香基；R4为(1)一个可被取代的芳香基，(2)一个被可被取代的芳香基取代的脂肪烃基，该烃基可能被进一步取代，或者(3)一个酰基；X和Y分别为氧或硫，可能被氧化；环A为一个苯环，可能被进一步取代，或者其盐，可用作抑制神经退化的药物。
• Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells
  申请人：——

  公开号：US20040034049A1

  公开（公告）日：2004-02-19

  An agent for promoting the proliferation or differentiation of a stem cell and/or neural progenitor cell, comprising a compound represented by Formula: 1 wherein each of R 1 and R 2 is H, a hydrocarbon group or a heterocyclic group, or taken together with the adjacent carbon atom to form a ring, R 3 is H, a hydrocarbon group or a heterocyclic group, W is a group represented by Formula: 2 wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted 5- to 7-membered nitrogen-containing heterocyclic ring, R 4 is an acyl group having an aliphatic hydrocarbon group, which is substituted by an aromatic group and may have a further substitutent, or aromatic group, R 5 is H, C 1-6 alkyl or acyl, R 4c is an aromatic group, an aliphatic hydrocarbon group or acyl, and X is O or S; Y is O, S or NH, Ring C is an optionally substituted benzene ring, or a salt or prodrug thereof is provided.

  一种用于促进干细胞和/或神经前体细胞增殖或分化的药剂，包括由公式1表示的化合物，其中R1和R2中的每一个是H、烃基或杂环基，或与相邻的碳原子结合形成环，R3是H、烃基或杂环基，W是由公式2表示的基团，其中环A是可选取代的苯环，环B是可选取代的含氮5-至7元杂环环，R4是取代芳香基的脂肪烃基的酰基，可以有进一步的取代基，或芳香基，R5是H、C1-6烷基或酰基，R4是芳香基、脂肪烃基或酰基，X是O或S；Y是O、S或NH，环C是可选取代的苯环，或其盐或前药。
• Coumaran derivatives and their pharmaceutical use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US04857516A1

  公开（公告）日：1989-08-15

  A compound of the formula ##STR1## wherein R is a lower alkyl group, R.sup.0 is hydrogen or an acyl group, R.sup.1 and R.sup.2 are lower alkyl groups which may optionally be substituted or wherein R.sup.1 and R.sup.2 are combined to form a butadienylene group which may optionally be substituted, R.sup.3 and R.sup.4 are hydrogen or alkyl groups which may optionally be substituted or wherein R.sup.3 and R.sup.4 are combined to form a polymethylene group, and R.sup.5 is a lower alkyl, aromatic or heterocyclic group which may optionally be substituted or a pharmaceutically acceptable salt thereof, exerts cardiovascular system improving action and antiallergic action and can be used as pharmaceutics, e.g. antithromotics, antiallergic agents etc.

  该化合物的化学式为 ##STR1## 其中R为低碳基团，R.sup.0为氢或酰基团，R.sup.1和R.sup.2为低碳基团，可选地可以被取代，或者R.sup.1和R.sup.2结合形成丁二烯基团，可选地可以被取代，R.sup.3和R.sup.4为氢或可选地被取代的烷基团，或者R.sup.3和R.sup.4结合形成聚亚甲基基团，R.sup.5为低碳基团、芳香基或杂环基，可选地可以被取代，或其药学上可接受的盐，具有改善心血管系统和抗过敏作用，可用作药物，例如抗血栓剂、抗过敏剂等。
• Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells
  申请人：Okawa Shigenori

  公开号：US20090012081A1

  公开（公告）日：2009-01-08

  An agent for promoting the proliferation or differentiation of a stem cell and/or neural progenitor cell, comprising a compound represented by Formula: wherein each of R 1 and R 2 is H, a hydrocarbon group or a heterocyclic group, or taken together with the adjacent carbon atom to form a ring, R 3 is H, a hydrocarbon group or a heterocyclic group, W is a group represented by Formula: wherein Ring A is an optionally substituted benzene ring, Ring B is an optionally substituted 5- to 7-membered nitrogen-containing heterocyclic ring, R 4 is an acyl group having an aliphatic hydrocarbon group, which is substituted by an aromatic group and may have a further substitutent, or aromatic group, R 5 is H, C 1-6 alkyl or acyl, R 4c is an aromatic group, an aliphatic hydrocarbon group or acyl, and X is O or S; Y is O, S or NH, Ring C is an optionally substituted benzene ring, or a salt or prodrug thereof is provided.

  一种用于促进干细胞和/或神经祖细胞增殖或分化的药剂，包括由下式表示的化合物：其中R1和R2中的每一个是H、烃基或杂环基，或与相邻的碳原子结合形成环，R3是H、烃基或杂环基，W是由下式表示的基团：其中环A是可选取代的苯环，环B是可选取代的含氮杂环5-至7-元环，R4是取代芳基的脂肪族烃基的酰基，可以具有进一步的取代基或芳基，或者是芳基，R5是H、C1-6烷基或酰基，R4是芳基、脂肪族烃基或酰基，X是O或S；Y是O、S或NH，环C是可选取代的苯环，或其盐或前药。
• Coumaran derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0273647A1

  公开（公告）日：1988-07-06

  A compound of the formula wherein R is a lower alkyl group, R0 is hydrogen or an acyl group, R1 and R2 are lower alkyl groups which may optionally be substituted or wherein R1 and R2 are combined to form a butadienylene group which may optionally be substituted, R3 and R4 are hydrogen or alkyl groups which may 'optionally be substituted or wherein R3 and R4 are combined to form a polymethylene group, and R5 is a lower alkyl, aromatic or heterocyclic group which may optionally be substituted or a pharmaceutically acceptable salt thereof, exerts cardiovascular system improving action and antiallergic action and can be used as pharmaceutics, e.g. antithromotics, antiallergic agents etc.

  式中 R 为低级烷基，R0 为氢或酰基，R1 和 R2 为可选择被取代的低级烷基，或其中 R1 和 R2 结合形成可选择被取代的丁二烯基，R3 和 R4 为氢或可'选择被取代的烷基，或其中 R3 和 R4 结合形成聚亚甲基，R5 为可选择被取代的低级烷基、芳香族或杂环基，或其药学上可接受的盐的化合物，具有改善心血管系统和抗过敏作用，可用作药物，如抗肿瘤药、抗过敏药等。