934266-82-7 (5-溴-2-氨基噻唑[5,4-B]并吡啶,5-Bromothiazolo5,4-bpyridin-2-amine)

CAS号:
934266-82-7
中文名称:
5-溴-2-氨基噻唑[5,4-B]并吡啶
英文名称:
5-Bromothiazolo5,4-bpyridin-2-amine
分子式:
C6H4BrN3S
分子量:
230.08505821228

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)名称与标识符

名称

中文别名:
2-氨基-5-溴噻唑并[5,4-b]吡啶;5-溴-2-氨基噻唑[5,4-B]并吡啶;
英文别名:
5-Bromothiazolo[5,4-b]pyridin-2-amine;2-AMINO-5-BROMOTHIAZOLO[5,4-B]PYRIDINE;5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-bromo-Thiazolo[5,4-b]pyridin-2-amine;5-bromo-thiazolo[5,4-b]pyridin-2-ylamine;5-Brom-thiazolo[5,4-b]pyridin-2-ylamin;5-bromo[1,3]thiazolo[5,4-b]pyridin-2-amine;XYEWTFOCPLSOIC-UHFFFAOYSA-N;5843AC;FCH1406292;OR303064;5-bromothiazolo[5,4-b]pyridin-2-ylamine;AX8158641;AB0081073;5-bromo-thiazolo[5,4-b]pyridin;5-Bromothiazolo[5,4-b]pyridin-2-amine (ACI);CS-0038599;934266-82-7;DTXSID20672142;MFCD11846492;2-AMINO-5-BROMOTHIAZOLO[5 pound not4-B]PYRIDINE;SS-4460;J-507921;AKOS015996856;SCHEMBL799228;

标识符

MDL:
MFCD11846492
InChIKey:
XYEWTFOCPLSOIC-UHFFFAOYSA-N
Inchi:
1S/C6H4BrN3S/c7-4-2-1-3-5(10-4)11-6(8)9-3/h1-2H,(H2,8,9)
SMILES:
BrC1C=CC2=C(SC(N)=N2)N=1

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)物化性质

实验特性

  • LogP : 2.61720
  • PSA : 80.04000

计算特性

  • 精确分子量 : 228.93100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 228.93093g/mol
  • 重原子数量 : 11
  • 复杂度 : 157
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.3
  • 拓扑分子极性表面积 : 80

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)海关数据

海关编码:
2934999090
海关数据:

中国海关编码:

2934999090

概述:

2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)推荐厂家 更多厂家(16)

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)合成路线

合成路线:1 步
反应条件:
参考文献:
Pyridinylbenzothiazole-urea derivatives as phosphatidylinositol 3-kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of diseases
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参考文献:
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参考文献:
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参考文献:
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反应条件:
参考文献:
Design, synthesis, and biological evaluation of triazole-based heteroaromatic derivatives as Bcr-Abl kinase inhibitors
Pan, Xiaoyan ; Liu, Nanxin; Liu, Yuying; Zhang, Qingqing; Wang, Kai; et al, European Journal of Medicinal Chemistry, 2022, 238,
合成路线:1 步
反应条件:
参考文献:
Thiazolopyridine ring-linked triazole compound in preparation of Bcr-Ab1 tyrosine kinase inhibitor and antitumor drug and preparation method thereof
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参考文献:
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反应条件:
参考文献:
Preparation of N-heterocyclylurea derivatives as phosphatidyl inositol-3 kinase (PI3K) inhibitors
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5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)上下游

5-溴-2-氨基噻唑[5,4-B]并吡啶(934266-82-7)参考资料

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