1-(10H-Phenothiazin-2-yl)ethanone 2-乙酰基吩噻嗪

CAS 6631-94-3 MFCD00005017

化学结构图

6631-94-3
SMILES: CC(=O)c1ccc2c(c1)Nc1ccccc1S2

化学属性

Mol. FormulaC14H11NOS
Mol. Weight241.31
Melting Point190 - 193 °C
Appearance 黄白色或绿色结晶性粉末。
Boiling Point455.7 °C at 760 mmHg

别名和识别编码

Chemical Name1-(10H-Phenothiazin-2-yl)ethanone
MDL NumberMFCD00005017
CAS Number6631-94-3
PubChem Substance ID81131
EC Number229-626-4
Synonym ML171 {Chemicalbook} 2-ACETYLPHENOTHIAZINE 2-APT compound 2-Acetyl Phenothiazine Methyl phenothiazin-2-yl ketone methyl phenothiazin-2-yl ketone {} {PubChem} 1-(10H-phenothiazin-2-yl)ethanone {} {} {PubChem} ML171 {} {} {} {Chemicalbook} LABOTEST-BB LT00012652 {} {} {} {} {SNA} 2-乙酰基吩噻嗪 {} {} {} {} {} {Chemicalbook} 2-乙酰吩噻嗪 {} {} {} {} {} {} {PubChem} 2-acetylphenothiazine {} {} {} {} {} {} {} {} {Chemicalbook} 2-Acetyl-10H-phenothiazine
Chemical Name Translation2-乙酰基吩噻嗪
InChIKeyJWGBOHJGWOPYCL-UHFFFAOYSA-N
LabNetwork Molecule IDLN01177754
Reaxys-RN200093
InChIInChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
Canonical SMILESCC(C1=CC=C2SC3=CC=CC=C3NC2=C1)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Thiazines

相关文献及参考

  • [1]. Gianni D, et al. A novel and specific NADPH oxidase-1 (Nox1) small-molecule inhibitor blocks the formation of functional invadopodia in human colon cancer cells. ACS Chem Biol. 2010 Oct 15;5(10):981-93.

安全信息

WGK Germany3
Hazard Codes Xn
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Signal word Warning
Risk Statements
  • R52/53
  • R22 Harmful if swallowed 吞咽有害
Storage condition 2-8°C {TCI} 0-10°C {} {LY} +4°C

其他信息

  • MOL 文件:6631-94-3.mol
  • 下游产品:二马来酸乙酰奋乃静
  • 用途一:医药中间体，用于解热镇痛新药消炎丙宁和乙酰嗪的制造。
  • Sigma Aldrich:6631-94-3(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazines 噻嗪
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiazines 噻嗪
  1. Medical Research Areas
  2. Metabolism
  3. NADPH Oxidase  (NADPH氧化酶)

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