(2E,4E,6E,8E)-20-hydroperoxyicosa-2,4,6,8-tetraenoic Acid | 76057-17-5

• 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: (2E,4E,6E,8E)-20-hydroperoxyicosa-2,4,6,8-tetraenoic Acid
• CAS: 76057-17-5
• 化学式: C₂₀H₃₂O₄
• 分子量: 336.5
• InChiKey: UWVMHHFKYPAKSK-DHIOLEBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• [EN] FATTY ACID DERIVATIVES AND THEIR USE<br/>[FR] DÉRIVÉS D'ACIDES GRAS ET UTILISATION ASSOCIÉE
  申请人：US HEALTH

  公开号：WO2019010414A1

  公开（公告）日：2019-01-10

  This disclosure concerns fatty acid derivatives, pharmaceutical compositions comprising the fatty acid derivatives, and methods of using the fatty acid derivatives, for example, to treat inflammation, chronic itch, chronic pain, an autoimmune disorder, atherosclerosis, a skin disorder, arthritis, a neurodegenerative disorder, or a psychiatric disorder in a subject. In some embodiments, the fatty acid derivative is a compound, or a stereoisomer, tautomer, or pharmaceutically acceptable salt thereof, having a structure according to: (I) wherein X is from 1-16 carbons in length, Z is aliphatic from 1-16 carbons in length, or is not present, Y is selected from: (II) R1, R2, and R3 are independently hydrogen or lower alkyl, R4 is lower alkyl, hydroxyl, carboxyl, or amine, R5 is hydrogen, lower alkyl, or halide, R6 is hydroxyl or substituted thiol, and each R7 is independently hydrogen or fluoride or is not present and the adjacent carbons form alkyne.

  这份披露涉及脂肪酸衍生物，包括含有脂肪酸衍生物的药物组合物，以及使用脂肪酸衍生物的方法，例如用于治疗炎症、慢性瘙痒、慢性疼痛、自身免疫性疾病、动脉粥样硬化、皮肤疾病、关节炎、神经退行性疾病或精神疾病的主体。在某些实施例中，脂肪酸衍生物是一种化合物，或其立体异构体、互变异构体或药用可接受的盐，其结构如下：(I)其中X的长度为1-16个碳，Z是1-16个碳的脂肪族，或者不存在，Y选自：(II)R1、R2和R3独立地是氢或较低的烷基，R4是较低的烷基、羟基、羧基或胺基，R5是氢、较低的烷基或卤素，R6是羟基或取代硫醇，每个R7独立地是氢或氟或不存在，相邻的碳形成炔烃。
• O-SUBSTITUTED ANILINE DERIVATIVE AND ANTIOXIDANT DRUG
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1944024A1

  公开（公告）日：2008-07-16

  A compound or a salt thereof that exhibits effective antioxidant activity in the treatment of ischemic organ disorders such as arteriosclerosis, myocardial infarction and brain infarction, in the treatment of diseases caused by oxidative cell damage such as renal disease, and in the inhibition of retinal lesions caused by oxidation due to the effects of light or the like. Also provided is an antioxidant drug containing at least one of the compounds or salts as an active ingredient. A compound represented by a formula (1) or a salt thereof, and an antioxidant drug containing at least one of the compound and the salt as an active ingredient. In the formula (1): a represents either 1 or 2, R0 represents an unsubstituted or substituted amino group, R1 to R4 each represent, independently, a hydrogen atom or an alkyl group, E represents an unsubstituted or substituted alkylene chain, D represents a single bond, oxygen atom, unsubstituted or substituted nitrogen atom, sulfur atom, sulfinyl group, sulfonyl group, carbonyl group, carbonylamino group or aminocarbonyl group, and A represents an unsubstituted or substituted aromatic hydrocarbon group, unsubstituted or substituted heterocyclic group, unsubstituted or substituted aralkyl group, or unsubstituted or substituted heteroaralkyl group.}

  一种化合物或其盐，在治疗缺血性器官疾病如动脉硬化、心肌梗死和脑梗死方面表现出有效的抗氧化活性，在治疗由氧化细胞损伤引起的疾病如肾脏疾病方面表现出有效的抗氧化活性，并且在抑制由于光线等的氧化引起的视网膜病变方面表现出有效的抗氧化活性。还提供了一种抗氧化药物，其中包含至少一种该化合物或盐作为活性成分。一种由式（1）表示的化合物或其盐，以及一种抗氧化药物，其中至少包含该化合物和盐中的一种作为活性成分。在式（1）中：a代表1或2，R0代表未取代或取代的氨基团，R1到R4分别独立地代表氢原子或烷基团，E代表未取代或取代的烷基链，D代表单键，氧原子，未取代或取代的氮原子，硫原子，亚砜基，磺酰基，羰基，羰胺基或氨基羰基，A代表未取代或取代的芳香烃基，未取代或取代的杂环基，未取代或取代的芳基烷基，或未取代或取代的杂芳基烷基。}
• [EN] AN IMPROVED METHOD FOR THE PREPARATION OF MONTELUKAST ACID AND SODIUM SALT THEREOF IN AMORPHOUS FORM<br/>[FR] PROCEDE DE PREPARATION AMELIORE D'ACIDE MONTELUKAST ET DE SEL DE SODIUM DE CELUI-CI SOUS FORME AMORPHE
  申请人：MOREPEN LAB LTD

  公开号：WO2004108679A1

  公开（公告）日：2004-12-16

  A method for the preparation of montelukast acid sodium salt thereof in amorphous form has been described. The method comprises of following steps: (a) generating the dilithium dianion of 1-(mercaptomethyl)cyclopropane acetic acid, by reacting with alkyl lithium, (b) coupling the said dianion with wet mesylate to get montelukast acid in crude form, (c) obtaining DCHA salt in crude form by adding dicyclohexylamine (DCHA) to crude acid obtained in the above step (b), (d) purifying and converting the said DCHA salt in crude form, to montelukast acid in pure form, and (e) reacting the pure montelukast acid in a polar protic solvent with a source of sodium ion followed by evaporating the solvent and triturating of the residue with non-polar water immiscible solvent.

  一种制备阿蒙特鲁卡斯酸钠盐的无定形形式的方法已经描述。该方法包括以下步骤：(a) 通过与烷基锂反应生成1-(巯基甲基)环丙酸的二锂二阴离子，(b) 将所述二阴离子与湿甲磺酸酯偶联以获得粗品的阿蒙特鲁卡斯酸，(c) 通过向上述步骤(b)中获得的粗品酸中加入二环己基胺（DCHA）获得粗品的DCHA盐，(d) 净化和将上述粗品的DCHA盐转化为纯净的阿蒙特鲁卡斯酸，(e) 在极性质子溶剂中，将纯净的阿蒙特鲁卡斯酸与钠离子源反应，随后蒸发溶剂并用非极性不溶水溶剂对残渣进行粉碎。
• [EN] INHIBITORS OF HUMAN 12/15-LIPOXYGENASE<br/>[FR] INHIBITEURS DE LA 12/15-LIPOXYGÉNASE- HUMAINE
  申请人：GEN HOSPITAL CORP

  公开号：WO2015027146A1

  公开（公告）日：2015-02-26

  A systematic screening has revealed a family of compounds that exhibit inhibitory effects on 12/15-lipoxygenase. Accordingly, the present invention relates to the use of these compounds for the inhibition of 12/15-lipoxygenase and for the treatment of a condition involving 12/15-lipoxygenase. Exemplary conditions include, but are not limited to, stroke, periventricular leukomalacia, cardiac arrest with resuscitation, atherosclerosis, Parkinson's disease, Alzheimer's disease, and breast cancer.

  一项系统性筛选发现了一类化合物，具有对12/15-脂氧合酶的抑制作用。因此，本发明涉及使用这些化合物来抑制12/15-脂氧合酶并治疗涉及12/15-脂氧合酶的疾病。典型的疾病包括但不限于中风、脑室周围白质损伤、心脏骤停复苏、动脉硬化、帕金森病、阿尔茨海默病和乳腺癌。
• Vanilloid receptor (VR) inhibitors for treatment of Human Immunodeficiency Virus (HIV)-mediated pain states
  申请人：Bayer HealthCare AG

  公开号：EP1493438A1

  公开（公告）日：2005-01-05

  The invention relates to the application of Vanilloid receptor (VR) 1 inhibitors for drug development and for the treatment of HIV-mediated neuropathies and neuropathic pain states. Further, the inventor identified a novel signaling cascade connecting the HIV receptor CXCR4 to VR1. Thus, the invention provides molecular evidence that HIV-mediated pain states - initiated upon binding of the virus to CXCR4 - can be inhibited by VR1 antagonists blocking the final execution of the CXCR4NR1 pathway. In addition, the invention demonstrates that present standard therapies for HIV-mediated pain (which do not include VR1 inhibitors) can not interfere with the CXCR4/VR1 pathway thus explaining inefficient patient treatment in the clinics.

  本发明涉及Vanilloid受体（VR）1抑制剂在药物开发和治疗HIV介导的神经病变和神经病性疼痛状态中的应用。此外，发明人还发现了一种新的信号级联，将HIV受体CXCR4连接到VR1。因此，本发明提供了分子证据，证明HIV介导的疼痛状态 - 在病毒与CXCR4结合后启动 - 可以通过VR1拮抗剂阻断CXCR4NR1途径的最终执行来抑制。此外，本发明证明目前用于治疗HIV介导的疼痛的标准疗法（不包括VR1抑制剂）无法干扰CXCR4 / VR1途径，从而解释了临床上治疗效果不佳的原因。