Dimethyl-[4-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-phenyl]-amine | 116409-07-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: Dimethyl-[4-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-phenyl]-amine
• 英文别名: N,N-dimethyl-4-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline
• CAS: 116409-07-5
• 化学式: C₂₃H₂₈N₂O₃
• 分子量: 380.487
• InChiKey: MMXOGJYYUBSYLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  34.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Dimethyl-[4-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-phenyl]-amine 在 oxonium 作用下， 以80%的产率得到8-(4-Dimethylamino-phenyl)-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
  参考文献：
  名称：

  抗肿瘤药鬼臼毒素的生物活性杂环类似物

  摘要：

  3,4-亚甲基二氧基苯酚（sesamol）与吡咯烷和芳族醛缩合，生成4型曼尼希碱。曼尼希碱与酮类试剂容易反应形成吡咯烷基苯并吡喃衍生物，该衍生物为抗癌药鬼臼毒素的抗有丝分裂和生物活性杂环类似物提供了简单的途径。

  DOI：

  10.1002/jhet.5570250113
• 作为产物：
  描述：

  6-{[4-(dimethylamino)phenyl](1-pyrrolidinyl)methyl}-1,3-benzodioxol-5-ol 生成 Dimethyl-[4-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-phenyl]-amine
  参考文献：
  名称：

  JURD, LEONARD, J. HETEROCYCL. CHEM., 25,(1988) N 1, 89-96

  摘要：

  DOI：

文献信息

• Chemical entities that kill senescent cells for use in treating age-related disease
  申请人：Unity Biotechnology, Inc.

  公开号：US10195213B2

  公开（公告）日：2019-02-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.

  本文公开的化合物可有效治疗与衰老有关的各种疾病状态。所公开的化合物可用于消除衰老细胞以治疗疾病。化合物的给药方式包括单次给药和循环给药。
• JURD, LEONARD, J. HETEROCYCL. CHEM., 25,(1988) N 1, 89-96
  作者：JURD, LEONARD

  DOI：——

  日期：——
• COMPOUNDS AND THERAPEUTIC USES
  申请人：Unity Biotechnology, Inc.

  公开号：US20170281649A1

  公开（公告）日：2017-10-05

  Disclosed herein are compounds that are effective for treatment of various disease states associated with senescence. The disclosed compounds can be used to eliminate senescent cells for disease treatment. The dosing of the compounds includes both single administration and regimens of cycling dosages.
• Bioactive heterocyclic analogs of the antitumor drug, podophyllotoxin
  作者：Leonard Jurd

  DOI：10.1002/jhet.5570250113

  日期：1988.1

  Mannich bases of type 4. The Mannich bases react readily with ketonic reagents to form pyrrolidinylbenzopyran derivatives which provide a simple route to antimitotic and bioactive heterocyclic analogs of the anti-cancer drug, podophyllotoxin.

  3,4-亚甲基二氧基苯酚（sesamol）与吡咯烷和芳族醛缩合，生成4型曼尼希碱。曼尼希碱与酮类试剂容易反应形成吡咯烷基苯并吡喃衍生物，该衍生物为抗癌药鬼臼毒素的抗有丝分裂和生物活性杂环类似物提供了简单的途径。