(S)-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)propan-1-ol | 1354382-54-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)propan-1-ol
• 英文别名: 3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]propan-1-ol
• CAS: 1354382-54-9
• 化学式: C₉H₁₈O₄
• 分子量: 190.24
• InChiKey: USTYYFCITQHBTI-QMMMGPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)propan-1-ol 在 正丁基锂 、 四溴化碳 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.33h， 生成
  参考文献：
  名称：

  Niphatenones, Glycerol Ethers from the Sponge Niphates digitalis Block Androgen Receptor Transcriptional Activity in Prostate Cancer Cells: Structure Elucidation, Synthesis, and Biological Activity

  摘要：

  Extracts of the marine sponge Niphates digitalis collected in Dominica showed strong activity in a cell-based assay designed to detect antagonists of the androgen receptor (AR) that could act as lead compounds for the development of a new class of drugs to treat castration recurrent prostate cancer (CRPC). Assay-guided fractionation showed that niphatenones A (3) and B (4), two new glycerol ether lipids, were the active components of the extracts. The structures of 3 and 4 were elucidated by analysis of NMR and MS data and confimed via total synthesis. Biological evaluation of synthetic analogues of the niphatenones has shown that the enantiomers 7 and 8 are more potent than the natural products in the screening assay and defined preliminary SAR for the new AR antagonist pharmacophore, including the finding that the Michael acceptor enone functionality is not required for activity. Niphatenone B (4) and its enantiomer 8 blocked androgen-induced proliferation of LNCaP prostate cancer cells but had no effect on the proliferation of PC3 prostate cancer cells that do not express functional AR, consistent with activity as AR antagonists. Use of the propargyl ether 44 and Click chemistry showed that niphatenone B binds covalently to the activation function-1 (AF1) region of the AR N-terminus domain (NTD).

  DOI：

  10.1021/jm2014056
• 作为产物：
  描述：

  (S)-(+)-1,2-异亚丙基甘油 在 15-冠醚-5 、 sodium hydride 、 9λ²-borabicyclo[3.3.1]nonane 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 (S)-3-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)propan-1-ol
  参考文献：
  名称：

  NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL

  摘要：

  本发明涉及15-硝氧基丙烯酸氟前列醇衍生物，其用于治疗青光眼和眼压增高，以及含有15-硝氧基丙烯酸氟前列醇衍生物的配方。

  公开号：

  US20180118677A1

文献信息

• DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE AND PHARMACEUTICALS CONTAINING THE SAME
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：US20160002251A1

  公开（公告）日：2016-01-07

  The present invention provides a dihydropyridazine-3,5-dione derivative or a salt thereof, or a solvate of the compound or the salt, a pharmaceutical drug, a pharmaceutical composition, a sodium-dependent phosphate transporter inhibitor, and a preventive and/or therapeutic agent for hyperphosphatemia, secondary hyperparathyroidism, chronic renal failure, chronic kidney disease, and arteriosclerosis associated with vascular calcification comprising the compound as an active ingredient, and a method for prevention and/or treatment.

  本发明提供了一种二氢吡啶嗪-3,5-二酮衍生物或其盐，或化合物或盐的溶剂化合物，一种药物，一种药物组合物，一种钠依赖性磷酸盐转运体抑制剂，以及作为活性成分的化合物的高磷血症、继发性甲状旁腺功能亢进症、慢性肾功能衰竭、慢性肾病和与血管钙化相关的动脉硬化的预防和/或治疗剂，以及预防和/或治疗的方法。
• NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL
  申请人：NICOX S.A.

  公开号：US20180118677A1

  公开（公告）日：2018-05-03

  The present invention relates to 15-nitrooxyderivatives of fluprostenol, their use for the treatment of glaucoma and ocular hypertension and formulation containing 15-nitrooxy derivatives of fluprostenol.

  本发明涉及15-硝氧基丙烯酸氟前列醇衍生物，其用于治疗青光眼和眼压增高，以及含有15-硝氧基丙烯酸氟前列醇衍生物的配方。
• [EN] COMPOSITIONS FOR THE TREATMENT OF GLAUCOMA AND OCULAR HYPERTENSION<br/>[FR] COMPOSITIONS POUR LE TRAITEMENT DU GLAUCOME ET DE L'HYPERTENSION OCULAIRE
  申请人：NICOX SA

  公开号：WO2021156275A1

  公开（公告）日：2021-08-12

  The invention relates to ophthalmic compositions comprising a nitric oxide releasing phosphodiesterase type 5 inhibitor (NO-PDE5 inhibitor) and a prostaglandin analog, and to the use of these ophthalmic compositions for the treatment of all forms of glaucoma or ocular hypertension as well as eyes diseases or conditions associated with elevated intraocular pressure. The NO-PDE5 inhibitor is selected from the following compounds: [(2S)-1-(4-[(3-chloro-4-methoxyphenyl)methyl]amino}-5-[(pyrimidin-2- yl)methyl]carbamoyl}pyrimidin-2-yl)pyrrolidin-2-yl]methyl 6-(nitrooxy) hexanoate (Compound (1)), [(2S)-1-(4-[(3-chloro-4-methoxyphenyl)methyl]amino}-5- [(pyrimidin-2-yl)methyl]carbamoyl}pyrimidin-2-yl)pyrrolidin-2-yl]methyl 3-[(2S)-2,3- bis(nitrooxy)propoxy]propanoate (Compound (1A)) or 2-4-[3-(5-Ethyl-4-oxo-7-propyl- 4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxybenzene-1-sulfonyl]piperazin-1- yl}ethyl 3-[(2S)-2,3-bis(nitrooxy) propoxy]propanoate (Compound (2)). The prostaglandin analog is selected from latanoprost, bimatoprost, travoprost or tafluprost.

  该发明涉及含有一氧化氮释放磷酸二酯酶5抑制剂（NO-PDE5抑制剂）和前列腺素类似物的眼科组合物，以及利用这些眼科组合物治疗所有形式的青光眼或眼压高以及与眼内压升高相关的眼部疾病或病况。NO-PDE5抑制剂选自以下化合物：[(2S)-1-(4-[(3-氯-4-甲氧基苯基)甲基]氨基}-5-[(嘧啶-2-基)甲基]羰基}嘧啶-2-基)吡咯烷-2-基]甲基6-(硝基氧基)己酸酯（化合物（1）），[(2S)-1-(4-[(3-氯-4-甲氧基苯基)甲基]氨基}-5-[(嘧啶-2-基)甲基]羰基}嘧啶-2-基)吡咯烷-2-基]甲基3-[(2S)-2,3-双(硝基氧基)丙氧基]丙酸酯（化合物（1A））或2-4-[3-(5-乙基-4-氧代-7-丙基-4,5-二氢吡咯[3,2-d]嘧啶-2-基)-4-丙氧基苯基-1-磺酰基]哌嗪-1-基}乙基3-[(2S)-2,3-双(硝基氧基)丙氧基]丙酸酯（化合物（2））。前列腺素类似物选自拉唑前列醇、比马前列素、曲前列醇或他夫前列醇。
• DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2975030A1

  公开（公告）日：2016-01-20

  The present invention provides a dihydropyridazine-3,5-dione derivative or a salt thereof, or a solvate of the compound or the salt, a pharmaceutical drug, a pharmaceutical composition, a sodium-dependent phosphate transporter inhibitor, and a preventive and/or therapeutic agent for hyperphosphatemia, secondary hyperparathyroidism, and chronic renal failure, comprising the compound as an active ingredient, and a method for prevention and/or treatment.

  本发明提供了一种二氢哒嗪-3,5-二酮衍生物或其盐，或该化合物或该盐的溶液剂、一种药物、一种药物组合物、一种钠依赖性磷酸盐转运体抑制剂，以及一种预防和/或治疗高磷血症、继发性甲状旁腺功能亢进症和慢性肾功能衰竭的药物，其中包含该化合物作为活性成分，以及一种预防和/或治疗方法。
• PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION.
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3928779A1

  公开（公告）日：2021-12-29

  The present invention provides a pharmaceutical composition containing, as an active ingredient, a dihydropyridazine-3,5-dione derivative or a salt thereof or a solvate of these, wherein the composition is administered in combination with a phosphorus adsorbent.

  本发明提供了一种药物组合物，其活性成分为二氢哒嗪-3,5-二酮衍生物或其盐或其溶液，其中该组合物与磷吸附剂结合使用。