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8-溴-6-甲基靛红酸酐 | 177970-27-3

中文名称
8-溴-6-甲基靛红酸酐
中文别名
——
英文名称
8-bromo-6-methyl-1H-3,1-benzoxazine-2,4-dione
英文别名
8-bromo-6-methyl-1H-benzo[d][1,3]oxazine-2,4-dione;8-bromo-6-methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;8-bromo-6-methyl-2H-benzo[d][1,3]oxazin-2,4(1H)-dione;8-bromo-6-methyl-2H-3,1-benzoxazin-2,4(1H)-dione;8-bromo-6-methyl-2H-3,1-benzoxazine-2,4(1H)-dione
8-溴-6-甲基靛红酸酐化学式
CAS
177970-27-3
化学式
C9H6BrNO3
mdl
MFCD07439677
分子量
256.056
InChiKey
XDPLOGJWYJBJGE-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

物化性质

  • 密度:
    1.720±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    14
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.111
  • 拓扑面积:
    55.4
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2934999090
  • 危险标志:
    GHS07
  • 危险性描述:
    H302,H319
  • 危险性防范说明:
    P305 + P351 + P338
  • 储存条件:
    室温

SDS

SDS:ce1337a816dd96192a3e3060d88b293e
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反应信息

  • 作为反应物:
    参考文献:
    名称:
    The Synthesis of C2-Symmetric and Axially Chiral Compounds for Recognition and Catalysis
    摘要:
    Axially chiral amidines and guanidines. some possessing C-2-symmetry, have been targeted as potential chiral catalysts for reactions of alpha,beta -unsaturated carboxylic acids or esters. The key step in each synthesis required the coupling of two sterically demanding aromatic compounds to form atropisomeric biaryl species. (C) 2000 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4020(00)00803-6
  • 作为产物:
    描述:
    2-氨基-5-甲基苯甲酸 作用下, 以 溶剂黄146甲苯 为溶剂, 反应 3.0h, 生成 8-溴-6-甲基靛红酸酐
    参考文献:
    名称:
    The Synthesis of C2-Symmetric and Axially Chiral Compounds for Recognition and Catalysis
    摘要:
    Axially chiral amidines and guanidines. some possessing C-2-symmetry, have been targeted as potential chiral catalysts for reactions of alpha,beta -unsaturated carboxylic acids or esters. The key step in each synthesis required the coupling of two sterically demanding aromatic compounds to form atropisomeric biaryl species. (C) 2000 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0040-4020(00)00803-6
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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。
  • [EN] SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION<br/>[FR] AMINOQUINOLONES SUBSTITUÉES EN TANT QU'INHIBITEURS DE DGKALPHA POUR ACTIVATION IMMUNITAIRE
    申请人:BAYER AG
    公开号:WO2021105117A1
    公开(公告)日:2021-06-03
    The present invention covers aminoquinolone compounds of general formula (I), in which R1, R2, R3, R4, R5, R6, R7, R8 and n are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of diacylglycerol kinase alpha regulated disorders, as a sole agent or in combination with other active ingredients.
    本发明涵盖了一般式(I)的氨基喹啉酮化合物,其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义,制备所述化合物的方法,用于制备所述化合物的中间化合物,包括所述化合物的药物组合物和组合物,以及利用所述化合物制造用于治疗和/或预防疾病的药物组合物,特别是二酰基甘油激酶α调节性疾病,作为唯一药剂或与其他活性成分组合使用。
  • 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。
  • [EN] SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION<br/>[FR] AMINOQUINOLONES SUBSTITUÉES UTILISÉES EN TANT QU'INHIBITEURS DE DGKALPHA POUR ACTIVATION IMMUNITAIRE
    申请人:BAYER AG
    公开号:WO2021105115A1
    公开(公告)日:2021-06-03
    The present invention covers aminoquinolone compounds of general formula (I) : in which R1, R2, R3, R4, R5, R6, R7, R8, X and n are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of diacylglycerol kinase alpha regulated disorders, as a sole agent or in combination with other active ingredients.
    本发明涵盖了一般式(I)的氨基喹啉化合物:其中R1、R2、R3、R4、R5、R6、R7、R8、X和n如此处所定义,制备所述化合物的方法,制备所述化合物有用的中间体化合物,包括所述化合物的药物组合物和组合物,以及利用所述化合物制造用于治疗和/或预防疾病的药物组合物,特别是对二酰基甘油激酶α调节性疾病的治疗,作为单一药剂或与其他活性成分组合使用。
  • Piperidine-2,6-dione derivative and use thereof
    申请人:KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY
    公开号:US11192878B2
    公开(公告)日:2021-12-07
    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.
    本公开涉及一种新型哌啶-2,6-二酮衍生物及其用途,更具体地说,涉及一种具有沙利度胺类似物结构的哌啶-2,6-二酮衍生物化合物。根据本公开的化学式 1 的化合物能特异性地与 CRBN 蛋白结合,并参与其功能。因此,本公开的化合物可用于预防或治疗由 CRBN 蛋白作用引起的麻风病、慢性移植物抗宿主疾病、炎症性疾病或癌症。
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