4-[5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[5-(Hydroxymethyl)-8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
• 化学式: C₁₆H₂₀O₃
• 分子量: 260.33
• InChiKey: XXIFNRNIQJKFLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof
  申请人：Prossnitz Eric R.

  公开号：US20080167334A1

  公开（公告）日：2008-07-10

  The current invention is in the field of molecular biology/pharmacology and provides compounds which modulate the effects of GPR30 as well as the classical estrogen receptors alpha and beta (ERα and ERβ). These compounds may function as agonists and/or antagonists of one or more of the disclosed estrogen receptors. Diseases which are mediated through one or more of these receptors include cancer (particularly breast, reproductive and other hormone-dependent cancers, leukemia, colon cancer, prostate cancer), reproductive (genito-urological) including endometritis, prostatitis, polycystic ovarian syndrome, bladder control, hormone-related disorders, hearing disorders, cardiovascular conditions including hot flashes and profuse sweating, hypertension, stroke, obesity, osteoporosis, hematologic diseases, vascular diseases or conditions such as venous thrombosis, atherosclerosis, among numerous others and disorders of the central and peripheral nervous system, including depression, insomnia, anxiety, multiple sclerosis, neuropathy, neurodegenerative disorders such as Parkinson's disease and Alzheimer's disease, as well as inflammatory bowel disease, Crohn's disease, coeliac (celiac) disease and related disorders of the intestine. A contraceptive indication to prevent or reduce the likelihood of pregnancy after intercourse is a further aspect of the present invention.

  当前的发明涉及分子生物学/药理学领域，并提供调节GPR30以及经典雌激素受体α和β（ERα和ERβ）效应的化合物。这些化合物可能作为抗原或/和拮抗剂作用于所披露的一个或多个雌激素受体。通过这些受体中的一个或多个介导的疾病包括癌症（特别是乳腺、生殖和其他激素依赖性癌症、白血病、结肠癌、前列腺癌）、生殖（泌尿生殖系统）包括子宫内膜炎、前列腺炎、多囊卵巢综合征、膀胱控制、激素相关疾病、听力障碍、心血管疾病包括潮热和大量出汗、高血压、中风、肥胖、骨质疏松症、血液学疾病、血管疾病或情况如静脉血栓形成、动脉粥样硬化等，以及中枢和外周神经系统的疾病，包括抑郁症、失眠、焦虑、多发性硬化、神经病、帕金森病和阿尔茨海默病等神经退行性疾病，以及炎症性肠病、克罗恩病、乳糜泻病和相关肠道疾病。避孕指示以预防或减少性交后怀孕的可能性是本发明的另一个方面。
• [EN] COMPOUNDS FOR SELECTIVE BINDING TO ESTROGEN RECEPTORS ALPHA/BETA RELATIVE TO GPER/GPR30<br/>[FR] COMPOSÉS POUR LA LIAISON SÉLECTIVE À DES RÉCEPTEURS ALPHA/BÊTA DES ŒSTROGÈNES PAR RAPPORT À GPER/GPR30
  申请人：UNM RAINFOREST INNOVATIONS

  公开号：WO2021041107A1

  公开（公告）日：2021-03-04

  The current invention is in the field of molecular biology/pharmacology and provides novel 3-oxabicyclo [3.3.1] nonene compounds and derivatives that modulate the effects of the classical estrogen receptors alpha and beta (ERalpha and ERbeta) with little to no biological or physiological effects on the G protein-coupled estrogen receptor GPER (also known as GPR30). These compounds may function as agonists and/or antagonists of one or more of the disclosed classical estrogen receptors.

  当前的发明属于分子生物学/药理学领域，提供了一种新颖的3-氧杂双环[3.3.1]壬烯化合物及其衍生物，能够调节经典雌激素受体α和β（ERα和ERβ）的效应，对G蛋白偶联雌激素受体GPER（也称为GPR30）几乎没有生物学或生理效应。这些化合物可能作为所披露的一个或多个经典雌激素受体的激动剂和/或拮抗剂。
• [EN] ANTIVIRAL AGENTS FOR DRUG-RESISTANT INFLUENZA A<br/>[FR] AGENTS ANTIVIRAUX POUR LA GRIPPE A RÉSISTANTE AUX MÉDICAMENTS
  申请人：UNIV JEFFERSON

  公开号：WO2017106820A1

  公开（公告）日：2017-06-22

  An effective therapeutic agent for the M2 channel comprising sulfonylamide or oxabicyclo structures effective for treating amantadine-resistant influenza A infections, and methods of treating amantadine-resistant influenza A infections through adminstration of the same.

  一种有效的治疗M2通道的药物，包括磺酰胺或氧杂二环结构，用于治疗对金刚烷胺具有抗药性的甲型流感病毒感染，并通过其给药治疗对金刚烷胺具有抗药性的甲型流感病毒感染的方法。
• COMPOUNDS FOR BINDING TO ER ALPHA/BETA AND GPR30, METHODS OF TREATING DISEASE STATES AND CONDITIONS MEDIATED THROUGH THESE RECEPTORS AND IDENTIFICATION THEREOF
  申请人：PROSSNITZ Eric R.

  公开号：US20110092533A1

  公开（公告）日：2011-04-21

  The current invention is in the field of molecular biology/pharmacology and provides compounds which modulate the effects of GPR30 as well as the classical estrogen receptors alpha and beta (ERα and ERβ). These compounds may function as agonists and/or antagonists of one or more of the disclosed estrogen receptors. Diseases which are mediated through one or more of these receptors include cancer (particularly breast, reproductive and other hormone-dependent cancers, leukemia, colon cancer, prostate cancer), reproductive (genito-urological) including endometreitis, prostatitis, polycystic ovarian syndrome, bladder control, hormone-related disorders, hearing disorders, cardiovascular conditions including hot flashes and profuse sweating, hypertension, stroke, obesity, osteoporosis, hematologic diseases, vascular diseases or conditions such as venous thrombosis, atherosclerosis, among numerous others and disorders of the central and peripheral nervous system, including depression, insomnia, anxiety, multiple sclerosis, neuropathy, neurodegenerative disoders such as Parkinson's disease and Alzheimer's disease, as well as inflammatory bowel disease, Crohn's disease, coeliac (celiac) disease and related disorders of the intestine. A contraceptive indication to prevent or reduce the likelihood of pregnancy after intercourse is a further aspect of the present invention.

  当前发明属于分子生物学/药理学领域，提供了调节GPR30及经典雌激素受体α和β（ERα和ERβ）效应的化合物。这些化合物可以作为所披露的一个或多个雌激素受体的激动剂和/或拮抗剂。通过这些受体介导的疾病包括癌症（特别是乳腺、生殖和其他激素依赖性癌症、白血病、结肠癌、前列腺癌）、生殖（泌尿生殖系统）包括子宫内膜炎、前列腺炎、多囊卵巢综合征、膀胱控制、激素相关疾病、听力障碍、心血管疾病包括潮热和大量出汗、高血压、中风、肥胖症、骨质疏松症、血液学疾病、血管疾病或条件如静脉血栓、动脉粥样硬化等等，以及中枢和周围神经系统的疾病，包括抑郁症、失眠、焦虑症、多发性硬化症、神经病、神经退行性疾病如帕金森病和阿尔茨海默病，以及炎症性肠病、克隆病、乳糜泻和相关的肠道疾病。预防或减少性行为后怀孕的避孕适应症是本发明的另一个方面。
• Antiviral agents for amantadine-resistant influenza A
  申请人：THOMAS JEFFERSON UNIVERSITY

  公开号：US10676428B2

  公开（公告）日：2020-06-09

  An effective therapeutic agent for the M2 channel comprising sulfonylamide or oxabicyclo structures effective for treating amantadine-resistant influenza A infections, and methods of treating amantadine-resistant influenza A infections through administration of the same.

  一种由磺酰胺或氧杂双环结构组成的 M2 通道有效治疗剂，可有效治疗金刚烷胺抗性甲型流感感染，以及通过服用该治疗剂治疗金刚烷胺抗性甲型流感感染的方法。