Ethyl (I(2)S)-5,6,7,8-tetrahydro-I(2)-(2-methyl-5-pyrimidinyl)-1,8-naphthyridine-2-nonanoate | 404869-67-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Ethyl (I(2)S)-5,6,7,8-tetrahydro-I(2)-(2-methyl-5-pyrimidinyl)-1,8-naphthyridine-2-nonanoate
• 英文别名: ethyl (3S)-3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
• CAS: 404869-67-6
• 化学式: C₂₄H₃₄N₄O₂
• 分子量: 410.56
• InChiKey: VPPOHJUGGXOITF-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Ethyl (I(2)S)-5,6,7,8-tetrahydro-I(2)-(2-methyl-5-pyrimidinyl)-1,8-naphthyridine-2-nonanoate 在 溴 、 溶剂黄146 作用下， 以81.5 %的产率得到ethyl (3S)-9-(3-bromo-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(2-methylpyrimidin-5-yl)nonanoate
  参考文献：
  名称：

  [EN] INTEGRIN TARGETING LIGANDS FOR OCULAR DELIVERY OF RNAI COMPOUNDS
  [FR] LIGANDS CIBLANT L'INTÉGRINE POUR L'ADMINISTRATION OCULAIRE DE COMPOSÉS D'ARNI

  摘要：

  The disclosure relates to RNA agents modified for targeted delivery to the eye. The present invention provides modified double stranded ribonucleic acid (dsRNAi) agents conjugated to an integrin targeting ligand, as well as methods of modulating the expression of a target gene in an ocular cell or tissue and methods of treating subjects having an ocular disease or disorder using such dsRNAi agents.

  公开号：

  WO2023283595A2
• 作为产物：
  描述：

  2-甲基-5-嘧啶甲醛 在 palladium on activated charcoal sodium tetrahydroborate 、 1,4-环己二烯 、 potassium carbonate 、 丙酸 作用下， 以 四氢呋喃 、 甲醇 、 溶剂黄146 为溶剂， 反应 4.25h， 生成 Ethyl (I(2)S)-5,6,7,8-tetrahydro-I(2)-(2-methyl-5-pyrimidinyl)-1,8-naphthyridine-2-nonanoate
  参考文献：
  名称：

  Nonpeptide α_vβ₃ Antagonists. Part 11:  Discovery and Preclinical Evaluation of Potent α_vβ₃ Antagonists for the Prevention and Treatment of Osteoporosis

  摘要：

  3-(S)-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid (5e) and 3-(S)(methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-yl)-nonanoic acid (5f) were identified as potent and selective antagonists of the alpha(v)beta(3) receptor. These compounds have excellent in vitro profiles (IC50 = 0.07 and 0.08 nM, respectively), significant unbound fractions in human plasma (6 and 4%), and good pharmacokinetics in rat, dog, and rhesus monkey. On the basis of the efficacy shown in an in vivo model of bone turnover following once-daily oral administration, these two compounds were selected for clinical development for the treatment of osteoporosis.

  DOI：

  10.1021/jm049874c

文献信息

• INTEGRIN TARGETING AGENTS AND IN-VIVO AND IN-VITRO IMAGING METHODS USING THE SAME
  申请人：Rajopadhye Milind

  公开号：US20110165075A1

  公开（公告）日：2011-07-07

  The invention provides a family of agents that target integrins, which can be used as imaging agents and/or therapeutic agents. The agents can be used to image angiogenesis, inflammation or other physiological processes in a subject.
• US9694089B2
  申请人：——

  公开号：US9694089B2

  公开（公告）日：2017-07-04