3-(2,4-dichlorophenyl)-4-(4-(2-pyrrolidin-1-yl-ethoxy)benzyl)-7-hydroxychromen-2-one | 601513-06-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(2,4-dichlorophenyl)-4-(4-(2-pyrrolidin-1-yl-ethoxy)benzyl)-7-hydroxychromen-2-one
• 英文别名: 3-(2,4-Dichlorophenyl)-7-hydroxy-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one
• CAS: 601513-06-8
• 化学式: C₂₈H₂₅Cl₂NO₄
• 分子量: 510.417
• InChiKey: XLALLEKALMQJNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-(2,4-dichlorophenyl)-4-(4-(2-pyrrolidin-1-ylethoxy)benzyl)-7-methoxychromen-2-one 以73%的产率得到3-(2,4-dichlorophenyl)-4-(4-(2-pyrrolidin-1-yl-ethoxy)benzyl)-7-hydroxychromen-2-one
  参考文献：
  名称：

  Benzopyranone compounds, compositions thereof, and methods of treatment therewith

  摘要：

  Benzopyranone化合物具有以下结构：其中R1、X、Y和n的定义如下。公式（I）中的化合物，其中R1为H，可通过去甲基化相应的酚甲醚制备。这些化合物适用于治疗骨吸收性疾病、癌症、关节炎或与雌激素相关的疾病，如乳腺癌、骨质疏松症、子宫内膜异位症、心血管疾病、高胆固醇血症、前列腺肥大、前列腺癌、肥胖、潮热、皮肤影响、情绪波动、记忆力减退以及与暴露于环境化学物质或天然激素失衡相关的不良生殖影响。

  公开号：

  US20040092572A1

文献信息

• Benzopyrazone compounds, compositions thereof, and methods of treatment therewith
  申请人：Signal Pharmaceuticals, Inc.

  公开号：US06620838B1

  公开（公告）日：2003-09-16

  Benzopyranone compounds having the following structure: wherein R1, X, Y and n are as defined here, are disclosed. The compounds of formula (I), wherein R1 is H, can be prepared by demethylation of the corresponding phenolic methyl ether. The compounds are useful for treating a bone-resorbing disease, cancer, arthritis or an estrogen-related condition such as breast cancer, osteoporosis and endometriosis.

  揭示了具有以下结构的苯并吡喃酮化合物：其中R1、X、Y和n的定义如下。 公式（I）中的化合物，其中R1为H，可以通过去甲基化相应的酚甲醚制备。 这些化合物可用于治疗骨吸收性疾病、癌症、关节炎或与雌激素相关的疾病，如乳腺癌、骨质疏松症和子宫内膜异位症。
• 4-((4-(2-pyrrolidinylethoxy)phenyl)methyl)-3-(4-(trifluoromethyl)phenyl)-7-hydroxychromen-2one, pharmaceutically acceptable salts thereof and methods of use therewith
  申请人：McKie A. Jeffrey

  公开号：US20070015817A1

  公开（公告）日：2007-01-18

  Benzopyranone compounds having the following structure: wherein R 1 , X, Y and n are as defined here, are disclosed. The compounds of formula (I), wherein R 1 is H, can be prepared by demethylation of the corresponding phenolic methyl ether. The compounds are useful for treating a bone-resorbing disease, cancer, arthritis or an estrogen-related condition such as breast cancer, osteoporosis, endometriosis, cardiovascular disease, hypercholesterolemia, prostatic hypertrophy, prostatic carcinomas, obesity, hot flashes, skin effects, mood swings, memory loss, and adverse reproductive effects associated with exposure to environmental chemicals or natural hormonal imbalances.

  本文揭示了具有以下结构的苯并吡喃酮化合物：其中R1、X、Y和n如此定义。公式（I）中R1为H的化合物可以通过去甲基化相应的酚甲醚制备。这些化合物可用于治疗骨吸收性疾病、癌症、关节炎或与雌激素相关的疾病，如乳腺癌、骨质疏松症、子宫内膜异位症、心血管疾病、高胆固醇血症、前列腺增生、前列腺癌、肥胖症、潮热、皮肤反应、情绪波动、记忆力下降以及与暴露于环境化学物质或天然荷尔蒙失衡有关的不良生殖效应。
• USE OF FIBROBLAST GROWTH FACTOR FRAGMENTS
  申请人：Novartis AG

  公开号：EP1682665B1

  公开（公告）日：2011-04-27
• Use of Fibroblast Growth Factor Fragments
  申请人：Bollekens Jacques

  公开号：US20090093398A1

  公开（公告）日：2009-04-09

  A discovery process beginning with an in vivo screening of proteins, peptides, natural products, classical medicinal compound or other substances. The administration of compounds to the animal can be either direct or indirect, such as by the administration and expression of cDNA-containing plasmids. Since the discovery process of the invention is based on a non-preconceived hypothesis and whole organism multi-organ analysis, a compound can be selected for testing in the absence of any biological selection criteria. The resulting organism-wide pattern of the gene expression changes in the transcriptome provides an overview of the activities at the molecular and organism-wide levels. The discovery process of the invention then integrates in vivo profiling and internal and external genomic databases to elucidate the function of unknown proteins, typically within few months. The invention further relates to medical uses of fibroblast growth factor 23 (FGF-23), FGF-23 fragments, FGF-23 C-terminal polypeptides, FGF-23 homologs and/or FGF-23 variants.
• US6620838B1
  申请人：——

  公开号：US6620838B1

  公开（公告）日：2003-09-16