6-硝基吲哚酮 | 474799-41-2

• 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
• 中文名称: 6-硝基吲哚酮
• 中文别名: 6-硝基氧化吲哚；6-硝基-1,3-二氢吲哚-2-酮
• 英文名称: 6-nitroindolin-2-one
• 英文别名: 6-nitro-1,3-dihydro-indol-2-one；6-nitro-1,3-dihydroindol-2-one
• CAS: 474799-41-2
• 化学式: C₈H₆N₂O₃
• mdl: MFCD09835636
• 分子量: 178.147
• InChiKey: WYCVARGVMCGNMC-UHFFFAOYSA-N

物化性质

• 沸点：
  390.6±42.0 °C(Predicted)
• 密度：
  1.449

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933790090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  6-硝基吲哚酮 在 sodium methylate 作用下， 以 二甲基亚砜 、 异丙醇 为溶剂， 反应 19.0h， 生成 3-(1,4-dihydro-3,1-benzothiazin-2-ylidene)-6-nitro-1H-indol-2-one
  参考文献：
  名称：

  WO2008/152014

  摘要：

  公开号：
• 作为产物：
  描述：

  3,3-bis(methoxycarbonyl)-6-nitroindolin-2-one 在 sodium hydroxide 、 水 、 盐酸 、 溶剂黄146 作用下， 以 甲醇 、 水 为溶剂， 反应 1.5h， 以68%的产率得到6-硝基吲哚酮
  参考文献：
  名称：

  WO2008/152013

  摘要：

  公开号：

文献信息

• BROMODOMAIN INHIBITORS FOR TREATING DISEASE
  申请人：Board of Regents, The University of Texas System

  公开号：US20160060260A1

  公开（公告）日：2016-03-03

  Disclosed herein are compounds and compositions useful in the treatment of bromodomain-containing protein-mediated diseases, such as cancer, having the structure of Formula I: Methods of inhibiting activity of a bromodomain-containing protein in a human or animal subject are also provided.

  本文披露了一种在治疗溴结构域含蛋白介导的疾病（如癌症）中有用的化合物和组合物，其具有Formula I的结构： 还提供了一种抑制人类或动物主体中溴结构域含蛋白活性的方法。
• Discovery of hybrids of indolin-2-one and nitroimidazole as potent inhibitors against drug-resistant bacteria
  作者：Yuanzheng Zhou、Yuan Ju、Yang Yang、Zitai Sang、Zhenling Wang、Gu He、Tao Yang、Youfu Luo

  DOI：10.1038/s41429-018-0076-5

  日期：2018.10

  With antibiotics resistance developing rapidly, new antibacterial agents are needed to be discovered. We readily synthesized 11 indolin-2-one compounds and found a hybrid of indolin-2-one and nitroimidazole 3-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)indolin-2-one to be effective on Staphylococcus aureus strains. Six derivatives of this compound were further designed and synthesized in order to enhance its efficacy. After a second turn of structural refinement, a novel hybrid of indolin-2-one and nitroimidazole 3-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-5-nitroindolin-2-one with a nitro group on C-5 position of indolin-2-one was shown to exhibit remarkable antibacterial activities with a low MIC value against MRSA ATCC 33591. Besides, this molecule demonstrated its potency on Gram-negative bacteria and VRE strain. The time-killing curve experiment showed its good bactericidal activity. Low hemolytic rate suggested its promising safety profile.

  随着抗生素耐药性迅速发展，需要发现新的抗菌剂。我们合成了11种吲哚啉-2-酮化合物，并发现一种吲哚啉-2-酮和硝基咪唑的杂合物3-((1-甲基-5-硝基-1H-咪唑-2-基)亚甲基)吲哚啉-2-酮对金黄色葡萄球菌菌株效果显著。为了提高其疗效，我们进一步设计和合成了该化合物的六种衍生物。在经过第二轮结构优化后，一种新型的吲哚啉-2-酮与硝基咪唑的杂合物3-((1-甲基-5-硝基-1H-咪唑-2-基)亚甲基)-5-硝基吲哚啉-2-酮在吲哚啉-2-酮的C-5位置上带有一个硝基，显示出对MRSA ATCC 33591显著的抗菌活性，表明MIC值较低。此外，该分子在革兰氏阴性菌和耐万古霉素菌株中也表现出活性。时间杀菌曲线实验显示其良好的杀菌活性。低溶血率表明其具有良好的安全性。
• Non-peptidic NPY Y2 receptor inhibitors
  申请人：Carruthers I. Nicholas

  公开号：US20050070534A1

  公开（公告）日：2005-03-31

  The invention provides novel non-peptidic NPY Y2 receptor inhibitors useful in treating or preventing: anxiolytic disorders or depression; injured mammalian nerve tissue; conditions responsive to treatment through administration of a neurotrophic factor; neurological disorders; bone loss; substance related disorders; obesity; or an obesity-related disorder. Compounds of the invention are also useful in modulating endocrine functions, particularly endocrine functions controlled by the pituitary and hypothalamic glands, and are therefore useful in the treatment or prevention of inovulation and infertility.

  该发明提供了一种新型的非肽类NPY Y2受体抑制剂，可用于治疗或预防：焦虑障碍或抑郁症；受损的哺乳动物神经组织；通过给予神经营养因子进行治疗的疾病；神经系统疾病；骨质流失；物质相关障碍；肥胖症；或肥胖相关疾病。该发明的化合物还可用于调节内分泌功能，特别是由垂体和下丘脑控制的内分泌功能，因此对于治疗或预防排卵障碍和不孕症也是有用的。
• Selective anthranilamide pyridine amides as inhibitors of vegfr-2 and vegfr-3
  申请人：——

  公开号：US20040254185A1

  公开（公告）日：2004-12-16

  Selective anthranilamide pyridinamides as VEGFR-2 and VEGFR-3 inhibitors, their production and use as pharmaceutical agents for treating diseases that are triggered by persistent angiogenesis are described. The compounds according to the invention can be used as or in the case of psoriasis, Kaposi's sarcoma, restenosis, such as, e.g., stent-induced restenosis, endometriosis, Crohn's disease, Hodgkin's disease, leukemia; arthritis, such as rheumatoid arthritis, hemangioma, angiofibroma; eye diseases, such as diabetic retinopathy, neovascular glaucoma; renal diseases, such as glomerulonephritis, diabetic nephropathy, malignant nephrosclerosis, thrombic microangiopathic syndrome, transplant rejections and glomerulopathy; fibrotic diseases, such as cirrhosis of the liver, mesangial cell proliferative diseases, arteriosclerosis, injuries to nerve tissue, and inhibition of the reocclusion of vessels after balloon catheter treatment, in vascular prosthetics or after mechanical devices are used to keep vessels open, such as, e.g., stents, as immunosuppressive agents, as a support in scar-free healing, senile keratosis and contact dermatitis. The compounds according to the invention can also be used as VEGFR-3 inhibitors in the case of lymphangiogenesis in hyper- and dysplastic changes of the lymphatic system.

  本发明涉及选择性蒽酰胺吡啶酰胺作为VEGFR-2和VEGFR-3抑制剂，其制备和用作治疗由持续性血管生成引起的疾病的药物。根据本发明的化合物可用于治疗银屑病、卡波西肉瘤、再狭窄（例如，支架引起的再狭窄）、子宫内膜异位症、克罗恩病、霍奇金病、白血病、关节炎（如类风湿性关节炎）、血管瘤、血管纤维瘤、眼部疾病（如糖尿病视网膜病变、新生血管性青光眼）、肾脏疾病（如肾小球肾炎、糖尿病肾病、恶性肾硬化、血栓性微血管病综合征、移植排斥和肾小球病）、纤维化疾病（如肝硬化、系膜细胞增生性疾病、动脉硬化、神经组织损伤和气球导管治疗后的血管再闭塞抑制剂、血管成形术或机械设备用于保持血管开放（如支架））、免疫抑制剂、支持无瘢痕愈合、老年性角化病和接触性皮炎。根据本发明的化合物也可用作VEGFR-3抑制剂，用于淋巴系统的高增生和异常增生变化中的淋巴生成。
• NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS
  申请人：Carruthers Nicholas I.

  公开号：US20080132540A1

  公开（公告）日：2008-06-05

  The invention provides novel non-peptidic NPY Y2 receptor inhibitors useful in treating or preventing: anxiolytic disorders or depression; injured mammalian nerve tissue; conditions responsive to treatment through administration of a neurotrophic factor; neurological disorders; bone loss; substance related disorders; obesity; or an obesity-related disorder. Compounds of the invention are also useful in modulating endocrine functions, particularly endocrine functions controlled by the pituitary and hypothalamic glands, and are therefore useful in the treatment or prevention of inovulation and infertility.

  本发明提供了新型的非肽类NPY Y2受体抑制剂，可用于治疗或预防：焦虑症或抑郁症；受损哺乳动物神经组织；通过给予神经营养因子治疗的疾病；神经系统疾病；骨质流失；物质相关疾病；肥胖症；或肥胖相关疾病。本发明的化合物也可用于调节内分泌功能，特别是由垂体和下丘脑控制的内分泌功能，因此可用于治疗或预防无排卵和不孕症。