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8-nitro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione | 89375-28-0

中文名称
——
中文别名
——
英文名称
8-nitro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione
英文别名
8-nitro-2H-benzo[d][1,3]oxazin-2,4(1H)-dione;3-nitroisatoic anhydride;8-nitroisatoic anhydride;8-nitro-1H-benz[d][1,3]oxazine-2,4-dione;8-Nitro-1H-benz[d][1,3]oxazin-2,4-dion;8-nitro-1H-3,1-benzoxazine-2,4-dione
8-nitro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione化学式
CAS
89375-28-0
化学式
C8H4N2O5
mdl
——
分子量
208.13
InChiKey
XKFUPFXKLACMEG-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.8
  • 重原子数:
    15
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    101
  • 氢给体数:
    1
  • 氢受体数:
    5

SDS

SDS:9ea39e40a62c8604410ae21d7ad3c8eb
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反应信息

  • 作为反应物:
    描述:
    8-nitro-2H-benzo[d][1,3]oxazine-2,4(1H)-dione盐酸碳酸氢铵 作用下, 以 1,4-二氧六环 为溶剂, 反应 11.25h, 生成
    参考文献:
    名称:
    Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one containing 4,5-dihydrothiazole-2-thiol derivatives against Meloidogyne incognita
    摘要:
    A series of novel 1,2,3-benzotriazin-4-one derivatives containing 4,5-dihydrothiazole-2-thiol were synthesized and characterized by H-1 NMR, C-13 NMR, F-19 NMR and HRMS. The bioassay results showed that compounds 3-(3-((4,5-dihydrothiazol-2-yl)thio)propyl)-7-methoxybenzo[d][1-3]triazin-4(3H)-one, 3-(3-((4,5-dihydrothiazol-2-yl)thio)propyl)-6-nitrobenzo[d][1-3]triazin-4(3H)-one, 7-chloro-3-(3-((4,5-dihydrothiazol-2-yl)thio)propyl)benzo[d][1-3]triazin-4(3H)-one exhibited good control efficacy against the cucumber root-knot nematode disease caused by Meloidogyne incognita at the concentration of 10.0 mg L-1 in vivo. Compound 7-chloro-3-(3-((4,5-dihydrothiazol-2-yl)thio)propyl)benzo[d][1-3]triazin-4(3H)-one showed excellent nematicidal activity with inhibition 68.3% at a concentration of 1.0 mg L-1. It suggested that the structure of 1,2,3-benzotriazin-4-one containing 4,5-dihydro-thiazole-2-thiol could be optimized further.
    DOI:
    10.1080/10426507.2019.1661413
  • 作为产物:
    描述:
    参考文献:
    名称:
    Caronna, Gazzetta Chimica Italiana, 1941, vol. 71, p. 481,485
    摘要:
    DOI:
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文献信息

  • 표적 단백질의 분해를 유도하기 위한 데그라듀서, 이의 제조방법 및 이를 유효성분으로 함유하는 표적 단백질 관련 질환의 예방 또는 치료용 약학적 조성물
    申请人:KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY 한국화학연구원(319980077651)
    公开号:KR20200024669A
    公开(公告)日:2020-03-09
    본 발명은 표적 단백질의 분해를 유도하기 위한 데그라듀서, 이의 제조방법 및 이를 유효성분으로 함유하는 표적 단백질 관련 질환의 예방 또는 치료용 약학적 조성물에 관한 것으로, 본 발명에 따른 화학식 1로 표시되는 신규 화합물은, 세레브론(cereblon) E3 유비퀴틴 리가제를 활용한, 타깃 단백질의 분해를 유도하는 데그라듀서 (Degraducer) 화합물로서, 세레브론(cereblon) E3 유비퀴틴 리가제 결합 바인더의 우수한 결합 활성으로, 타깃 단백질 분해 유도 활성 역시 현저하게 달성되는 측면이 있고, 이에 다양한 질환과 관계되는 단백질 또는 폴리펩타이드를 타깃하여 우수한 단백질 분해활성을 달성할 수 있는 바, 본 발명에 따른 화학식 1로 표시되는 신규 화합물을 유효성분으로 함유하는, 브로모도메인-함유 단백질 관련 질환 또는 병태의 예방 또는 치료용 약학적 조성물, 및 예방 또는 개선용 건강기능식품 조성물을 제공할 수 있는 유용한 효과가 있다.
    本发明涉及诱导靶蛋白降解的降解酶、其制备方法以及含有其作为有效成分的用于预防或治疗靶蛋白相关疾病的药学组合物,根据本发明,化学式1所示的新化合物是利用Cereblon E3泛素连接酶,诱导靶蛋白降解的降解酶化合物,具有优异的Cereblon E3泛素连接酶结合结合活性,使得靶蛋白降解诱导活性也显著实现,从而能够将与多种疾病相关的蛋白质或多肽作为靶点,实现优异的蛋白质降解活性。根据本发明,含有化学式1所示的新化合物作为有效成分的,可提供用于预防或治疗Bromodomain-含有蛋白质相关疾病或病理的药学组合物,以及可提供用于预防或改善健康的功能性食品组合物,具有有益的效果。
  • NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF
    申请人:KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
    公开号:US20200062730A1
    公开(公告)日:2020-02-27
    The present disclosure relates to a novel piperidine-2,6-dione derivative and a use thereof and, more specifically, to a piperidine-2,6-dione derivative compound having a structure of a thalidomide analog. A compound of chemical formula 1 according to the present disclosure specifically binds with CRBN protein, and is involved in functions thereof. Therefore, the compound of the present disclosure can be favorably used in the prevention or treatment of leprosy, chronic graft versus host disease, an inflammatory disease, or cancer, which are caused by actions of CRBN protein.
    本公开涉及一种新颖的哌啶二酮衍生物及其用途,更具体地说,涉及一种具有沙利度胺类似物结构的哌啶二酮衍生物化合物。根据本公开的化学式1的化合物特异地与CRBN蛋白结合,并参与其功能。因此,本公开的化合物可有利地用于预防或治疗由CRBN蛋白作用引起的麻风病、慢性移植物抗宿主病、炎症性疾病或癌症。
  • Quinazolinone derivatives
    申请人:——
    公开号:US20040077667A1
    公开(公告)日:2004-04-22
    A quinazolinone derivatives having poly (adenosine 5′-diphaspho-ribose)polymerase (PARP) inhibotory activity represented by the formula (I), wherein R1 is optionally substituted cyclic amino groups or optionally substituted amino group, R2 is substituent, n means an integer from 0 to 4, and L is lower akkylene or lower alkenylene, or its prodrug, or their salts. 1
    一种具有聚(腺苷酸二磷酸核糖)聚合酶(PARP)抑制活性的喹唑啉酮衍生物,其化学式为(I),其中R1是可选取代的环氨基或可选取代的氨基基团,R2是取代基,n表示0至4的整数,L是低级别的取代基或低级别的烯基取代基,或其前药或盐。
  • Bioactivity-Guided Synthesis Accelerates the Discovery of Evodiamine Derivatives as Potent Insecticide Candidates
    作者:Jingbo Liu、Yabing Shi、Zhicheng Tian、Fengyun Li、Zesheng Hao、Wen Wen、Li Zhang、Yuanhong Wang、Yuxin Li、Zhijin Fan
    DOI:10.1021/acs.jafc.1c08297
    日期:2022.4.27
    design and structural optimization have been one of the most effective ways to innovate pesticides for integrated insect management. To continue our previous studies on the discovery of insecticidal lead, a series of evodiamine derivatives were designed, synthesized, and evaluated for their insecticidal activities. The bioassay results demonstrated that compounds Ian and Iao exhibited 90 and 80% insecticidal
    害虫通过降低作物产量和损害其质量来威胁全球粮食安全。基于天然产物的分子设计和结构优化一直是创新农药以实现昆虫综合治理的最有效方法之一。为了继续我们先前对发现杀虫铅的研究,我们设计、合成了一系列吴茱萸碱衍生物,并对其杀虫活性进行了评估。生物测定结果表明,化合物Ian和Iao在 2.5 mg/L 时对Mythimna separata的杀虫活性分别为 90% 和 80%,优于吴茱萸碱(10%,10 mg/L)、苦参碱(45%,600 mg/L)。 L) 和鱼藤酮 (30% at 200 mg/L)。化合物Ian-Iap对小菜蛾的杀虫活性为 1.0 mg/L,远高于吴茱萸碱、苦参碱和鱼藤酮。化合物Ian在5.0 mg/L时对棉铃虫的杀虫活性为60% ,而吴茱萸碱、苦参碱和鱼藤酮的杀虫活性很差。通过钙成像实验对杀虫作用机制的研究表明,昆虫兰尼碱受体(RyRs)可能是Ian的潜在靶点。此外,分子对接
  • Functionalization Processes and Reactants Used in Such Processes Using an Isatoic Anhydride or a Derivative Thereof, Biological Molecules Thus Treated and Kits
    申请人:Burr Arnaud
    公开号:US20130253179A1
    公开(公告)日:2013-09-26
    The present invention relates to a process of functionalising at least one ribonucleic acid (RNA) molecule which comprises the following steps: a) having at least: a binding molecule constituted by an isatoic anhydride or a derivative thereof, a group of interest, and a binding arm linking the binding molecule with the group of interest, b) reacting the anhydride function of the binding molecule with at least one hydroxyl group in: position 2′ of the ribose of one of the RNA nucleotides, and/or position(s) 2′ and/or 3′ of the ribose of the nucleotide at the 3′ terminal end of the RNA, and c) obtaining an anthranilate linking, via the binding arm, the RNA to the group of interest. The invention also relates to a functionalising reagent able to be used in such processes, a functionalised biological RNA molecule capable of being obtained by these processes and a kit for detecting a target RNA molecule comprising such a reagent. Said invention finds a preferential application in the field of in vitro diagnosis.
    本发明涉及一种功能化至少一个核糖核酸(RNA)分子的过程,包括以下步骤:a)至少具有:由异吲哚酸酐或其衍生物组成的结合分子,一个感兴趣的基团和将结合分子与感兴趣基团连接的结合臂;b)反应结合分子的酸酐官能团与RNA核苷酸中至少一个羟基反应,其中该核苷酸的核糖在2'位,和/或RNA 3'末端核苷酸的核糖在2'和/或3'位;c)通过结合臂获得一种蒽酰胺连接,将RNA与感兴趣基团连接。本发明还涉及一种可用于此类过程的功能化试剂、能够通过这些过程获得的功能化生物RNA分子以及用于检测靶RNA分子的试剂盒。本发明在体外诊断领域中具有优选应用。
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