ethyl 7-methanesulfonamidoheptanoate | 54555-61-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 7-methanesulfonamidoheptanoate
• 英文别名: 7-methanesulfonylaminoheptanoic acid ethyl ester；ethyl 7-(methanesulfonyl-amino)-heptanoate；ethyl-7-methanesulfonyl-amino-heptanoate；ethyl 7-(methanesulfonamido)heptanoate；7-Methansulfonamidoheptansaeureethylester；Ethyl-7-(methansulfonamido)-heptanoat
• CAS: 54555-61-2
• 化学式: C₁₀H₂₁NO₄S
• mdl: MFCD27925174
• 分子量: 251.347
• InChiKey: LSDSWODYQPBKJL-UHFFFAOYSA-N

物化性质

• 沸点：
  347.5±44.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 7-methanesulfonamidoheptanoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 7-[N-(4(R)-hydroxy-2-nonynyl)methanesulfonamido]heptanoic acid
  参考文献：
  名称：

  11,12-Secoprostaglandins. 4. 7-(N-Alkylmethanesulfonamido)heptanoic acids

  摘要：

  A series of 7-(N-alkylmethanesulfonamido) heptanoic acids has been prepared which represents an extension of our 8-aza-11,12-secoprostaglandin studies. The studies. The compounds mimic the natural prostaglandins in that they markedly stimulate cAMP formation in the mouse ovary assay.

  DOI：

  10.1021/jm00220a014
• 作为产物：
  描述：

  7-氨基庚酸乙酯(或盐酸盐) 、 甲基磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以60%的产率得到ethyl 7-methanesulfonamidoheptanoate
  参考文献：
  名称：

  WO2007/24860

  摘要：

  公开号：

文献信息

• Method for treating glaucoma
  申请人：Pfizer Inc.

  公开号：US06344485B1

  公开（公告）日：2002-02-05

  Methods of using prostaglandin agonists for the reduction of intraocular pressure, and accordingly glaucoma.

  使用前列腺素激动剂降低眼内压及相应青光眼的方法。
• Prevention of loss and restoration of bone mass by certain prostaglandin agonists
  申请人：Pfizer Inc.

  公开号：US06288120B1

  公开（公告）日：2001-09-11

  Prostaglandin agonists of formula (I), in which, for example, A is a sulphonyl or acyl group, B is N or CH, M contains a ring and K and Q are linking groups, methods of using such prostaglandin agonists, pharmaceutical compositions containing such prostaglandin agonists and kits useful for the treatment of bone disorders including osteoporosis.

  前列腺素激动剂公式(I)，其中，例如，A是磺酰基或酰基，B是N或CH，M含有一个环，K和Q是连接基团，使用这种前列腺素激动剂的方法，包含这种前列腺素激动剂的药物组合物以及用于治疗包括骨质疏松症在内的骨病的试剂盒。
• 16-Ethers of 8-aza-9-dioxothia-11,12-seco-prostaglandins
  申请人：Merck & Co., Inc.

  公开号：US03991106A1

  公开（公告）日：1976-11-09

  The invention is concerned with novel 16-aryloxy-, 16-alkoxy-, 16-arylthio- and 16-alkylthio-8-aza-9-dioxothia-11,12-seco-prostaglandins and processes for their preparation. These novel compounds are useful as pharmaceuticals since they can be used in animals for estrus synchronization and treatment of infertility due to persistence of luteal function.

  这项发明涉及新颖的16-芳基氧基、16-烷氧基、16-芳基硫基和16-烷基硫基-8-氮杂-9-二氧硫-11,12-脱环前列腺素以及它们的制备方法。这些新颖化合物可用作药物，因为它们可用于动物的发情同步和由黄体功能持续引起的不孕症的治疗。
• Discovery of an 8-Aza-5-thiaProstaglandin E1 Analog as a Highly Selective EP4 Receptor Agonist
  作者：Tohru Kambe、Toru Maruyama、Atsushi Naganawa、Masaki Asada、Akiteru Seki、Takayuki Maruyama、Hisao Nakai、Masaaki Toda

  DOI：10.1248/cpb.59.1494

  日期：——

  For the purpose of discovering an orally available EP4 subtype-selective agonist, a series of 8-aza prostaglandin E1 (PGE1) analogs were synthesized and evaluated for their affinity for PGE2 receptor subtypes. Additionally, the structure–activity relationships of these compounds were studied. Among the tested compounds, the 8-aza PGE1 analog 6 and 8-aza-5-thiaPGE1 analog 12 had highly potent EP4 receptor affinity, good functional activity, and excellent subtype-selectivity. Furthermore, these analogs demonstrated good stability in human liver microsomes. As a result, we concluded that these two series of 8-aza PGE1 analogs could be promising chemical leads for an orally available EP4 subtype-selective agonist.

  为了发现一种口服可用的EP4亚型选择性激动剂，合成并评估了一系列8-氮原子前列腺素E1（PGE1）类似物对PGE2受体亚型的亲和力。此外，还研究了这些化合物的结构-活性关系。在测试的化合物中，8-氮PGE1类似物6和8-氮-5-硫PGE1类似物12对EP4受体具有高效的亲和力、良好的功能活性和优异的亚型选择性。此外，这些类似物在人体肝微粒体中表现出良好的稳定性。因此，我们得出结论，这两系列的8-氮PGE1类似物可能是口服可用的EP4亚型选择性激动剂的有前景的化学先导物。
• Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and an EP2 or EP4 selective agonist
  申请人：Lee G. Andrew

  公开号：US20050065133A1

  公开（公告）日：2005-03-24

  The present invention relates to pharmaceutical compositions and methods of treatment comprising administering to a patient in need thereof a combination of a 2-alkylidene-19-nor-vitamin D derivative and an EP 2 or EP 4 selective agonist or a pharmaceutically acceptable salt or prodrug thereof. Particularly, the present invention relates to pharmaceutical compositions and methods comprising administering to a patient in need thereof 2-methylene-19-nor-20(S)-1α,25-dihydroxyvitamin D 3 and an EP 2 or EP 4 selective agonist or a pharmaceutically acceptable salt or prodrug thereof.

  本发明涉及制药组合物和治疗方法，包括向需要的患者施用2-烷基亚甲基-19-去氢维生素D衍生物和EP2或EP4选择性激动剂或其药用可接受的盐或前药的组合物。特别地，本发明涉及制药组合物和方法，包括向需要的患者施用2-亚甲基-19-去氢-20(S)-1α,25-二羟基维生素D3和EP2或EP4选择性激动剂或其药用可接受的盐或前药。