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6-BOC-2-溴-5,6,7,8-四氢-4H-噻唑并[4,5-D]吖庚因 | 1352925-59-7

中文名称
6-BOC-2-溴-5,6,7,8-四氢-4H-噻唑并[4,5-D]吖庚因
中文别名
——
英文名称
2-bromo-4,5,7,8-tetrahydro-thiazolo[4,5-d]azepine-6-carboxylic acid tert-butyl ester
英文别名
tert-Butyl 2-bromo-4,5,7,8-tetrahydrothiazolo[5,4-d]azepine-6-carboxylate;tert-butyl 2-bromo-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carboxylate
6-BOC-2-溴-5,6,7,8-四氢-4H-噻唑并[4,5-D]吖庚因化学式
CAS
1352925-59-7
化学式
C12H17BrN2O2S
mdl
——
分子量
333.249
InChiKey
UXPOCQZUOREPHC-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

  • 沸点:
    405.5±45.0 °C(Predicted)
  • 密度:
    1.441±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    18
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    70.7
  • 氢给体数:
    0
  • 氢受体数:
    4

反应信息

点击查看最新优质反应信息

文献信息

  • NOVEL PYRAZOLOPYRIMIDINES
    申请人:GOTTSCHLING Dirk
    公开号:US20130261105A1
    公开(公告)日:2013-10-03
    This invention relates to novel pyrazolopyrimidines and their use as metabotropic glutamate 5 receptor antagonists (mGlu5 receptor antagonists), pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of mGlu5 receptor mediated disorders.
    这项发明涉及新型吡唑吡咯嘧啶及其作为代谢型谷酸5受体拮抗剂(mGlu5受体拮抗剂)的用途,包含这些化合物的药物组合物,以及将其用作治疗或改善mGlu5受体介导的疾病的药剂的方法。
  • NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT
    申请人:Shionogi & Co., Ltd.
    公开号:US20190161501A1
    公开(公告)日:2019-05-30
    Novel compounds having D3 receptor antagonistic activity are provided. A compound represented by formula (I): wherein ring A is a heterocycle, X 1 is each independently CR 4a R 4b , X 2 is each independently CR 4c R 4d , Y 1 and Y 2 are each independently a carbon atom or a nitrogen atom, L is —N(R 6 )—C(═O)— or the like, W is cyclyl or the like, R 2 and R 3 are each independently substituted or unsubstituted alkyl or the like, R 1a , R 1b , R 4a to R 4d , and R 6 are each independently hydrogen atoms or the like, p is 1 or 2, q is an integer of 1 to 3, n is an integer of 1 to 4, s is an integer of 0 to 4, or a pharmaceutically acceptable salt thereof.
    提供具有D3受体拮抗活性的新化合物。一种由以下式(I)表示的化合物:其中环A是杂环,X1分别是CR4aR4b,X2分别是CR4cR4d,Y1和Y2分别是碳原子或氮原子,L是—N(R6)—C(═O)—或类似物,W是环烷基或类似物,R2和R3分别是取代或未取代的烷基或类似物,R1a、R1b、R4a到R4d和R6分别是氢原子或类似物,p为1或2,q是1到3的整数,n是1到4的整数,s是0到4的整数,或其药学上可接受的盐。
  • Pyrazolopyrimidines as metabotropic glutamate 5 receptor antagonists
    申请人:Gottschling Dirk
    公开号:US09029360B2
    公开(公告)日:2015-05-12
    This invention relates to novel pyrazolopyrimidines and their use as metabotropic glutamate 5 receptor antagonists (mGlu5 receptor antagonists), pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of mGlu5 receptor mediated disorders.
    本发明涉及新型吡唑嘧啶及其作为代谢型谷酸5受体拮抗剂(mGlu5受体拮抗剂)的用途,包括含有该化合物的制药组合物,以及将其作为治疗或改善mGlu5受体介导的疾病的药物的方法。
  • SUBSTITUTED ARYL COMPOUND
    申请人:Simcere Pharmaceutical Co., Ltd.
    公开号:EP4108663A1
    公开(公告)日:2022-12-28
    The present application describes a substituted aryl compound used as an RAD51 inhibitor and a pharmaceutically acceptable salt thereof. The compound has the structure as represented by Formula (I) and has the substituents and structural features as described in the present application. Furthermore, the present application describes a pharmaceutical composition containing the compound as represented by Formula (I) or the pharmaceutically acceptable salt thereof, and the use of the compound as represented by Formula (I) or the pharmaceutically acceptable salt thereof and the pharmaceutical composition containing same in the preparation of a drug for preventing or treating RAD51 mediated diseases.
    本申请描述了一种用作 RAD51 抑制剂的取代芳基化合物及其药学上可接受的盐。该化合物具有式(I)所代表的结构,并具有本申请中所描述的取代基和结构特征。此外,本申请还描述了一种含有式(I)所代表的化合物或其药学上可接受的盐的药物组合物,以及式(I)所代表的化合物或其药学上可接受的盐和含有该化合物的药物组合物在制备预防或治疗RAD51介导的疾病的药物中的用途。
  • CONDENSED CYCLIC COMPOUND HAVING DOPAMINE D3 RECEPTOR ANTAGONISM
    申请人:Shionogi & Co., Ltd
    公开号:EP3744721A1
    公开(公告)日:2020-12-02
    Novel compounds having a D3 receptor antagonistic effect are provided. The compound represented by Formula (IA)': wherein A is S or O; R1a is substituted or unsubstituted alkyloxy or the like, R2a to R2d are each independently hydrogen atoms or the like, ring B is a 4- to 8-membered non-aromatic carbocycle or the like, R3 is each independently halogen or the like, r is an integer of 0 to 4, R4 is substituted or unsubstituted aromatic heterocyclyl or the like, or a pharmaceutically acceptable salt thereof.
    提供了具有 D3 受体拮抗作用的新型化合物。 由式(IA)'代表的化合物: 其中 A 是 S 或 O;R1a 是取代或未取代的烷氧基或类似物;R2a 至 R2d 各自独立地是氢原子或类似物;环 B 是 4 至 8 元非芳族碳环或类似物;R3 各自独立地是卤素或类似物;r 是 0 至 4 的整数;R4 是取代或未取代的芳族杂环或类似物、 或其药学上可接受的盐。
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