octahydro-1H-isoindol-1-one | 2555-11-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: octahydro-1H-isoindol-1-one
• 英文别名: octahydroisoindol-1-one；octahydro-isoindol-1-one；8-azabicyclo (4,3,0)-7-nonanone；1-oxo-hexahydro-iso-indoline；octahydro-isoindole-1-one；2-Aminomethyl-cyclohexan-carbonsaeure-(1)-lactam；2,3,3a,4,5,6,7,7a-octahydroisoindol-1-one
• CAS: 2555-11-5
• 化学式: C₈H₁₃NO
• mdl: MFCD09834339
• 分子量: 139.197
• InChiKey: JKYNCKNIVHDOKU-UHFFFAOYSA-N

物化性质

• 熔点：
  101-102 °C(Solv: ligroine (8032-32-4))
• 沸点：
  118-120 °C(Press: 0.9 Torr)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 储存条件：
  储存条件：2-8°C，密封保存，并确保干燥。

反应信息

• 作为反应物：
  描述：

  octahydro-1H-isoindol-1-one 在 三乙基硅烷 、 4-二甲氨基吡啶 、 N,N-二甲基丙烯基脲 、 LiBHEt₂ 、 三氟化硼乙醚 、 三乙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl (3aS,7aS)-7a-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3,3a,4,5,6,7-hexahydro-1H-isoindole-2-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of conformationally restricted gabapentin analogues

  摘要：

  A series of conformationally restricted Gabapentin analogues has been synthesised. The pyrrolidine analogue (R)-2-Aza-spiro[4.5]decane-4-carboxylic acid hydrochloride (3a) had an IC(50) of 120nM, similar to that of Gabapentin (IC(50) = 140nM), at the Gabapentin binding site on the alpha(2)delta subunit of a calcium channel. Compound (3a) also reversed carrageenan induced hyperalgesia in rats, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00383-2
• 作为产物：
  描述：

  1,2,3,6-四氢邻苯二甲酰亚胺 在 [Ru₄H₆(p-cumene)4]Cl₂ 、 氢气 作用下， 以 水 为溶剂， 90.0 ℃ 、6.0 MPa 条件下， 反应 22.0h， 以97%的产率得到octahydro-1H-isoindol-1-one
  参考文献：
  名称：

  钌化合物催化不饱和环状酰亚胺的单还原和加氢生成内酰胺。

  摘要：

  DOI：

  10.1002/anie.200462996

文献信息

• [EN] INDAZOLOPYRIMIDINONES AS FIBRINOLYSIS INHIBITORS<br/>[FR] INDAZOLOPYRIMIDINONES COMME INHIBITEURS DE LA FIBRINOLYSE
  申请人：BAYER PHARMA AG

  公开号：WO2016173948A1

  公开（公告）日：2016-11-03

  The present application relates to novel substituted indazolopyrimidinones, to processes for their preparation, the compounds for use alone or in combinations in a method for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of acute and recurrent bleeding in patients with or without underlying hereditary or acquired hemostatic disorders, wherein the bleeding is associated with a disease or medical intervention selected from the group consisting of heavy menstrual bleeding, postpartum hemorrhage, hemorrhagic shock, trauma, surgery, transplantation, stroke, liver diseases, hereditary angioedema, nosebleed, and synovitis and cartilage damage following hemarthrosis.

  本申请涉及新型取代吲唑吡咯嘧啶酮，其制备方法，以及用于治疗和/或预防疾病的化合物，特别是用于治疗和/或预防患有或不患有基础遗传或获得性止血障碍的患者急性和复发性出血的方法，其中出血与从重经期出血、产后出血、出血性休克、创伤、手术、移植、中风、肝病、遗传性血管性水肿、鼻血、以及血液积聚后的滑膜炎和软骨损伤等一组疾病或医疗干预有关。
• [EN] [C]-FUSED BICYCLIC PROLINE DERIVATIVES AND THEIR USE FOR TREATING ARTHRITIC CONDITIONS<br/>[FR] DERIVES DE PROLINE BICYCLIQUES 20041028US2003008861A1LIN LINUS S [US], et al20030109example 10, step C example 11, step A example 29, step c (starting material)X2,8XBERGMEIER S C ET AL: "Synthesis of Bicyclic Proline Analogs Using a Formal [3 + 2] Intramolecular Aziridine-Allylsilane Cycloaddition Reaction", TETRAHEDRON, ELSEVIER SCIENCE PUBLISHERS, AMSTERDAM, NL, vol. 55, no. 26, 25 June 1999 (1999-06-25), pages 8025 - 8038, XP004168571, ISSN: 0040-4020BERGMEIER S C ET ALSynthesis of Bicyclic Proline Analogs Using a Formal [3 + 2] Intramolecular Aziridine-Allylsilane Cycloaddition ReactionTETRAHEDRON, ELSEVIER SCIENCE PUBLISHERS, AMSTERDAM, NL1999062555260040-40208025803845Scheme 7X2XDATABASE BEILSTEIN BEILSTEIN INSTITUTE FOR ORGANIC CHEMISTRY, FRANKFURT-MAIN, DE; XP002288925, Database accession no. BRN:388906BEILSTEINBEILSTEIN INSTITUTE FOR ORGANIC CHEMISTRY, FRANKFURT-MAIN, DEBRN:388906AX4XMURAYAMA ET AL, YAKUGAKU ZASSHI, vol. 85, 1965, pages 765 - 769MURAYAMA ET ALYAKUGAKU ZASSHI196585765769WO0027808A1AVENTIS PHARMA GMBH [DE]20000518214814211517A1-9AWO03074048A1WARNER LAMBERT CO [US], et al2003091235253626PX1-9PXOTHMAN M ET AL: "New Fused Lactones from Indolizinediones via N-Acyliminium Ions", TETRAHEDRON, ELSEVIER SCIENCE PUBLISHERS, AMSTERDAM, NL, vol. 54, no. 30, 23 July 1998 (1998-07-23), pages 8737 - 8744, XP004124041, ISSN: 0040-4020OTHMAN M ET ALNew Fused Lactones from Indolizinediones via N-Acyliminium IonsTETRAHEDRON, ELSEVIER SCIENCE PUBLISHERS, AMSTERDAM, NL1998072354300040-4020873787443A-EScheme 1X1XGUILLERM G ET AL: "Synthesis of Hydroxylated Pyrrolidines Derivatives as Potential Inhibitors of SAH/MTA Nucleosidase", TETRAHEDRON LETTERS, vol. 28, no. 5, 1987, pages 535 - 538, XP002288924GUILLERM G ET ALSynthesis of Hydroxylated Pyrrolidines Derivatives as Potential Inhibitors of SAH/MTA NucleosidaseTETRAHEDRON LETTERS19872855355384AScheme 2X1X
  申请人：WARNER LAMBERT CO

  公开号：WO2004092134A1

  公开（公告）日：2004-10-28

  This invention relates to a compound which is [c]-fused bicyclic proline derivative, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition comprising the compound or the salt thereof, and methods of treating diseases, including, but not limited to, methods of preventing or inhibiting joint cartilage damage and preventing or treating diseases characterized by joint cartilage damage, joint inflammation, or joint pain. The [c]-fused bicyclic proline derivatives are compounds of Formula I as described above. Diseases characterized by joint cartilage damage or joint pain include, for example, osteoarthritis and rheumatoid arthritis. Rheumatoid arthritis is also characterized by joint inflammation. This invention also relates to methods of synthesizing and preparing the [c]-fused bicyclic proline derivatives, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种[c]-融合的双环脯氨酸衍生物，或其药用可接受的盐；包括该化合物或其盐的药物组合物；以及治疗疾病的方法，包括但不限于预防或抑制关节软骨损伤，以及预防或治疗以关节软骨损伤、关节炎或关节疼痛为特征的疾病的方法。[c]-融合的双环脯氨酸衍生物是如上所述的I式化合物。以关节软骨损伤或关节疼痛为特征的疾病包括，例如，骨关节炎和类风湿性关节炎。类风湿性关节炎还以关节炎为特征。本发明还涉及合成和制备[c]-融合的双环脯氨酸衍生物或其药用可接受的盐的方法。
• Conformationally constrained amino acid compounds having affinity for the alpha2delta subunit of a calcium channel
  申请人：Warner-Lambert Company

  公开号：US06316638B1

  公开（公告）日：2001-11-13

  Novel substituted amino acids of formula are disclosed and are useful as agents in the treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, and neuropathological disorders. Processes for the preparation and intermediates useful in the preparation are also disclosed.

  本发明揭示了一种化学式的新型替代氨基酸，并可用作治疗癫痫、昏厥发作、运动减弱、颅内疾病、神经退行性疾病、抑郁症、焦虑症、恐慌、疼痛和神经病理性疾病的药物。同时还揭示了用于制备这些氨基酸的方法和中间体。
• Cyclopropyl Amide Derivatives 978
  申请人：Arnold James

  公开号：US20090076020A1

  公开（公告）日：2009-03-19

  Disclosed herein is at least one cyclopropyl amide derivative, at least one pharmaceutical composition comprising at least one cyclopropyl amide derivative disclosed herein, and at least one method of using at least one cyclopropyl amide derivative disclosed herein for treating at least one histamine H3 receptor associated condition therewith.

  本公开至少包括一种环丙基酰胺衍生物，至少包括一种含有本公开的至少一种环丙基酰胺衍生物的药物组合物，以及至少包括一种使用本公开的至少一种环丙基酰胺衍生物用于治疗至少一种与组织胺H3受体相关疾病的方法。
• [DE] ISOPHTHALSÄUREDERIVATE<br/>[EN] ISOPHTALIC ACID DERIVATIVES<br/>[FR] DERIVES D'ACIDE ISOPHTALIQUE
  申请人：BAYER HEALTHCARE AG

  公开号：WO2004052839A1

  公开（公告）日：2004-06-24

  Die vorliegende Erfindung betrifft Isophthalsäurederivate, ein Verfahren zu ihrer Herstellung sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten bei Menschen und Tieren, insbesondere von kardiovaskulären Erkrankungen.

  本发明涉及异苯二甲酸衍生物，其制备方法以及它们用于制造用于治疗和/或预防人类和动物疾病，特别是心血管疾病的药物的用途。