1H-(3H/5H)-Cyclopentachinolin | 35731-21-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1H-(3H/5H)-Cyclopentachinolin
• 英文别名: Cyclopenta[c]quinoline；5H-cyclopenta[c]quinoline
• CAS: 35731-21-6
• 化学式: C₁₂H₉N
• 分子量: 167.21
• InChiKey: AVTRHIASEDSPOZ-UHFFFAOYSA-N

物化性质

• 熔点：
  109-111 °C (decomp)
• 沸点：
  405.4±28.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

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。
• Diazepinoquinolines, synthesis thereof, and intermediates thereto
  申请人：Megati Sreenivasulu

  公开号：US20070027142A1

  公开（公告）日：2007-02-01

  The present invention relates to methods for synthesizing compounds useful as 5HT 2C agonists or partial agonists, derivatives thereof, and to intermediates thereto.

  本发明涉及用作5HT2C激动剂或部分激动剂的化合物的合成方法，以及其衍生物和中间体。
• 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。
• Oxo-substituted compounds, process of making, and compositions and methods for inhibiting PARP activity
  申请人：Guilford Pharmaceuticals Inc.

  公开号：US20030105102A1

  公开（公告）日：2003-06-05

  Compounds, compositions containing compounds, methods of sing compounds, and processes of making compounds, of formula I containing at least one ring nitrogen: 1 or a pharmaceutically acceptable base or acid addition salt, hydrate, ester, solvate, prodrug, metabolite, stereoisomer, or mixtures thereof, wherein: X is double-bonded oxygen or —OH; when R 7 is present, it is hydrogen or lower alkyl; Y represents the atoms necessary to form a fused mono-, bi- or tricyclic, carbocyclic or heterocyclic ring, wherein each individual ring has 5-6 ring member atoms; and Z is (i) —CHR 2 CHR 3 — wherein R 2 and R 3 are independently hydrogen, alkyl, aryl, or aralkyl; (ii) —R 6 C═CR 3 — wherein R 3 and R 6 are independently hydrogen, lower alkyl, aryl, aralkyl, halo, —NO 2 , —COOR 7 , or —NR 7 R 8 where R 8 is independently hydrogen or C 1 -C 9 alkyl, or R 6 and R 3 , taken together, form a fused aromatic ring, wherein each individual ring has 5-6 ring members; (iii) —R 2 C═N—; (iv) —CR 2 (OH)—NR 7 —; or (v) —C(O)—NR 7 —.

  含有至少一个环氮的式 I 的化合物、含有化合物的组合物、化合物的合成方法和化合物的制造工艺： 1 或药学上可接受的碱或酸加成盐、水合物、酯、溶液、原药、代谢物、立体异构体或其混合物，其中： X 是双键氧或 -OH； 当 R 7 为氢或低级烷基； Y 代表形成融合的单环、双环或三环、碳环或杂环所需的原子，其中每个环有 5-6 个环成员原子；以及 Z 是 (i) -CHR 2 CHR 3 - 其中 R 2 和 R 3 独立地为氢、烷基、芳基或芳烷基； (ii) -R 6 C&boxH；CR 3 - 其中 R 3 和 R 6 独立地为氢、低级烷基、芳基、芳烷基、卤代、-NO 2 、-COOR 7 或 -NR 7 R 8 其中 R 8 独立地为氢或 C 1 -C 9 烷基，或 R 6 和 R 3 共同形成一个融合的芳香环，其中每个单独的环有 5-6 个环状构件；(iii) -R 2 C═N-； (iv) -CR 2 (OH)-NR 7 -；或 (v) -C(O)-NR 7 -.
• [DE] 3,4-DIHYDROCHINOLIN-DERIVATIVE ALS STICKSTOFFMONOXID-SYNTHASE (NOS) INHIBITOREN<br/>[EN] 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS<br/>[FR] DERIVES DE 3,4-DIHYDROQUILINE UTILISES COMME INHIBITEURS DE SYNTHASES-MONOXYDE D'AZOTE (NOS)
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：WO1999041240A1

  公开（公告）日：1999-08-19

  (DE) Verbindungen der Formel (I), deren tautomere und isomere Formen und physiologisch verträgliche Salze, worin R1 und R2 unabhängig voneinander bedeuten, a) Wasserstoff; b) C1-6-Alkyl; c) OR8; d) NR8R9; e) CN; f) Acyl; g) CO2R10; h) CONR8R9; i) CSNR8R9; R3 bedeutet einen gesättigten oder ungesättigten C1-5-Alkylenrest, der 1- bis 4-fach mit OR11, NR12R13 oder C1-4-Alkyl substituiert sein kann oder bei dem 1 oder 2 CH2-Gruppen durch O, S(O)n, NR14, =N- oder Carbonyl ersetzt sein können und der mit einer Methano-, Ethano- oder Propano-Gruppe überbrückt sein kann. Die Erfindung betrifft auch die Verwendung der erfindungsgemäßen Verbindungen zur Herstellung eines Arzneimittels zur Behandlung und Prävention von Erkrankungen, die durch die Wirkung von Stickstoffmonoxid in pathologischen Konzentrationen hervorgerufen werden. Dazu zählen neurodegenerative Erkrankungen, inflammatorische Erkrankungen, Autoimmunerkrankungen, Herz-Kreislauf-Erkrankungen.(EN) The invention relates to compounds of formula (I), their tautomeric and isomeric forms and physiologically compatible salts, wherein R1 and R2 independently mean a) hydrogen, b) C1-C6-alkyl, c) OR8, d) NR8R9, e) CN, f) acyl, g) CO2R10, h) CONR8R9, i) CSNR8R9, R3 stands for a saturated or unsaturated C1-5-alkyl radical that can be 1 to 4 times substituted with OR11, NR12R13 or C1-4-alkyl or in which 1 or 2 CH2 groups can be substituted by O, S(O)n, NR14, =N- or carbonyl and which can be bridged with a methane, ethane or propane group. The invention also relates to the use of the inventive compounds for the production of medicaments used in the treatment and prevention of diseases caused by the effects of nitrogen monoxide in pathological concentrations, such as neurodegenerative, inflammatory, autoimmune and cardiovascular diseases.(FR) L'invention concerne des composés de formule (I), leurs formes tautomères et isomères, ainsi que leurs sels physiologiques tolérables. Dans la formule (I), R1 et R2 représentent indépendamment l'un de l'autre a) hydrogène, b) alkyle C1-6, c) OR8, d) NR8R9, e) CN, f) acyle, g) CO2R10, h) CONR8R9, i) CSNR8R9, R3 représente un radical alcylène C1-5 saturé ou insaturé, pouvant être substitué 1 à 4 fois par OR11, NR12R13 ou alkyle C1-4, ou dans lequel 1 ou 2 groupes CH2 peuvent être substitués par O, S(O)n, NR14, =N- ou carbonyle, et pouvant être ponté avec un groupe méthano, éthano ou propano. L'invention concerne également l'utilisation desdits composés pour produire un médicament servant à traiter et prévenir des maladies provoquées par l'effet du monoxyde d'azote dans des concentrations pathologiques, par exemple des maladies neurodégénératives, inflammatoires, auto-immunes et cardiovasculaires.

  以下是对上述英文文本的翻译 ** Organic化合物及其同构体和生理相容的盐类的描述 化学式为(I)的有机化合物，其各种同分异构体和互变异构体，以及与此相关联的盐类。在这些化合物中，R1和R2分别表示： a) 氢 b) C1-C6-烷基 c) OR8 d) NR8R9 e) CN f) 酮 g) CO2R10 h) CONR8R9 i) CSNR8R9 R3代表一个饱和或不饱和的C1-C5-烷基基团，可以被1至4个OR11、NR12R13或C1-C4-烷基取代，或者其中的1或2个CH2组可以被O、S(O)n、NR14、=N-或羰基取代，并与甲基、乙基或丙基通过桥接连接。该发明还涉及使用所述化合物以治疗和预防由一氧化氮在病理浓度范围内引起的疾病，此类疾病包括神经退行性疾病、炎症性疾病、自身免疫性疾病以及心循环系统疾病。 英文原文>>ückliche