Methyl α-[[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl]oxy]phenylacetate | 216989-30-9

• 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: Methyl α-[[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl]oxy]phenylacetate
• 英文别名: Methyl alpha-[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxy]phenylacetate；methyl 2-[[2,2,4,6,7-pentamethyl-3-(4-propan-2-ylphenyl)-3H-1-benzofuran-5-yl]oxy]-2-phenylacetate
• CAS: 216989-30-9
• 化学式: C₃₁H₃₆O₄
• 分子量: 472.624
• InChiKey: BHYSSGBULCXUDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl α-[[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl]oxy]phenylacetate 在 盐酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以27%的产率得到α-[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yloxy]phenylacetic acid
  参考文献：
  名称：

  PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS

  摘要：

  公开号：

  EP1323716B1
• 作为产物：
  描述：

  α-溴苯乙酸甲酯 、 5-hydroxy-2,2,4,6,7-pentamethyl-3-(4-isopropylphenyl)-2,3-dihydrobenzofuran 以the title compound was obtained in the same manner as in Example 1的产率得到Methyl α-[[3-(4-isopropylphenyl)-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl]oxy]phenylacetate
  参考文献：
  名称：

  Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells

  摘要：

  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。

  公开号：

  US20040034049A1

文献信息

• 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。
• 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或可取代的烃基，或R1和R2形成3-8环的碳或杂环，可取代；R3为H，可取代的低烷基或可取代的芳香基；R4为(1)可取代的芳香基，(2)被可取代的芳香基取代的脂肪烃基，该烃基可以进一步取代或(3)酰基；X和Y分别为可氧化的氧或硫；环A为苯环，可进一步取代，或其盐，可用于抑制神经退行性的药剂。
• Antidepressant
  申请人：Ohkawa Shigenori

  公开号：US20050148650A1

  公开（公告）日：2005-07-07

  A PKB (Akt) activating agent comprising a compound represented by the formula (I): wherein R 1 and R 2 : H, a hydrocarbon group or a heterocyclic group or R 1 and R 2 form a ring in cooperation with the adjacent carbon atom; R 3 : H, a hydrocarbon group or a heterocyclic group; W: represents a group represented by the formulas: wherein ring A: an optionally substituted benzene ring; ring B: an optionally substituted 5- to 7-membered nitrogen-containing heterocycle; R 4 : an aliphatic hydrocarbon group substituted with an aromatic group and further optionally substituted, or an acyl group containing an aromatic group; R 5 : H, C 1-6 alkyl or acyl; R 4c : an aromatic group, an aliphatic hydrocarbon group or acyl; and X:O or S; Y:O, S or NH; and ring C: an optionally substituted benzene ring, or a salt or a prodrug thereof, and use of the activating agent in prevention or treatment of depression, anxiety, manic-depressive psychosis or PTSD are provided.

  一种 PKB（Akt）激活剂，包括由式（I）代表的化合物： 其中 R 1 和 R 2 :H、烃基或杂环基或 R 1 和 R 2 与相邻碳原子形成一个环； R 3 :H、烃基或杂环基； W：代表由下列式子表示的基团 其中环 A：任选取代的苯环； 环 B：任选取代的 5 至 7 元含氮杂环； R 4 被芳香基团取代并进一步被任选取代的脂族烃基，或含有芳香基团的酰基； R 5 5 :H 1-6 烷基或酰基 4c ：芳香基、脂族烃基或酰基；以及 X:O 或 S；Y:O、S 或 NH；环 C：任选取代的苯环，或其盐或原药，并提供了该活化剂在预防或治疗抑郁症、焦虑症、躁狂抑郁性精神病或创伤后应激障碍中的用途。
• ANTIDEPRESSANT
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1481679B1

  公开（公告）日：2010-08-25
• US7008950B1
  申请人：——

  公开号：US7008950B1

  公开（公告）日：2006-03-07