G-1 | 925420-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: G-1
• 英文别名: 1-[4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
• CAS: 925420-28-6
• 化学式: C₂₁H₁₈BrNO₃
• 分子量: 412.283
• InChiKey: VHSVKVWHYFBIFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  G-1 、 碘甲烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以53%的产率得到syn-1-[4-(6-bromo-benzo[1,3]dioxol-5-yl)-5-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone
  参考文献：
  名称：

  Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof

  摘要：

  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。

  公开号：

  US20080167334A1

文献信息

• 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。
• Method for treating obesity, diabetes, cardiovascular and kidney diseases by regulating GPR30/GPER activity
  申请人：STC.UNM

  公开号：US10251870B2

  公开（公告）日：2019-04-09

  The current invention is in the field of molecular biology/pharmacology and provides methods of using compounds that modulate the effects of GPR30/GPER for treating obesity and diabetes (preferably agonists) as well as disease states and/or conditions that result from excessive formation of reactive oxygen species (preferably antagonists). These compounds may function as agonists and/or antagonists of the disclosed estrogen receptor and/or modulate the expression/upregulation of nox and nox-associated reactive oxygen species (ROS).

  本发明属于分子生物学/药理学领域，提供了使用调节 GPR30/GPER 作用的化合物治疗肥胖症和糖尿病（优选激动剂）以及因活性氧形成过多而导致的疾病状态和/或病症（优选拮抗剂）的方法。这些化合物可作为已公开的雌激素受体的激动剂和/或拮抗剂和/或调节nox和nox相关活性氧（ROS）的表达/上调。
• Enantiomerically purified GPER agonist for use in treating disease states and conditions
  申请人：Linnaeus Therapeutics, Inc.

  公开号：US10934277B2

  公开（公告）日：2021-03-02

  The present disclosure provides 1) an enantiomerically purified compound SRR G-1, or a derivative thereof, including specific crystal forms, salts and co-crystals that modulates G protein-coupled estrogen receptor activity, 2) pharmaceutical and cosmetic compositions comprising an enantiomerically purified SRR G-1, or a derivative thereof, and 3) methods of treating or preventing disease states and conditions and cosmetic conditions mediated through these receptors and related methods thereof in humans and animals.

  本公开提供了：1）对映体纯化的化合物 SRR G-1 或其衍生物，包括调节 G 蛋白偶联雌激素受体活性的特定晶体形式、盐和共晶体；2）包含对映体纯化的 SRR G-1 或其衍生物的药物和化妆品组合物；3）在人类和动物中治疗或预防通过这些受体介导的疾病状态和条件以及美容条件的方法及其相关方法。
• LIGANDS FOR ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AND METHODS OF TREATING NEUROLOGICAL AND INFLAMMATORY CONDITIONS
  申请人：Northeastern University

  公开号：EP3180086A1

  公开（公告）日：2017-06-21
• METHOD FOR TREATING OBESITY, DIABETES, CARDIOVASCULAR AND KIDNEY DISEASES BY REGULATING GPR30/GPER ACTIVITY
  申请人：STC. UNM

  公开号：US20180055826A1

  公开（公告）日：2018-03-01

  The current invention is in the field of molecular biology/pharmacology and provides methods of using compounds that modulate the effects of GPR30/GPER for treating obesity and diabetes (preferably agonists) as well as disease states and/or conditions that result from excessive formation of reactive oxygen species (preferably antagonists). These compounds may function as agonists and/or antagonists of the disclosed estrogen receptor and/or modulate the expression/upregulation of nox and nox-associated reactive oxygen species (ROS).