3,3-Methylenediindole 3,3-二吲哚甲烷

CAS 1968-05-4 MFCD00195766

化学结构图

1968-05-4
SMILES: c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1

化学属性

Mol. FormulaC17H14N2
Mol. Weight246.31
Density1.422
Melting Point167°C
Boiling Point504.8°C at 760 mmHg

别名和识别编码

Chemical Name3,3-Methylenediindole
CAS Number1968-05-4
Alfabeta NameMETHYLENEBISINDOLE H331---,'
MDL NumberMFCD00195766
Synonym 3,3'-Diindolylmethane {LY} 3,3'-Diindolylmethane {} {LY} 3,3'-Diindolylmethane {} {} {LY} 3,3'-Diindolylmethane {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3'-Diindolylmethane {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number250-023-7
Beilstein Registry Number2384789
Reaxys-RN223072
PubChem Substance ID3071
Chemical Name Translation3,3-二吲哚甲烷
LabNetwork Molecule IDLN00165990
InChIInChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
Canonical SMILESC1(CC2=CNC3=C2C=CC=C3)=CNC4=C1C=CC=C4
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分类

  • {SNA} Alkaloid, Aromatic Compounds, Building Blocks, C13 to C27, Chemical Synthesis, Enzyme Inhibitors, Gene Regulation, Gene Regulation and Expression, Heterocyclic Building Blocks, Indoles, Phytochemicals by Chemical Classification, 抗肿瘤药物, 癌症研究, 细胞信号转导和神经科学, 细胞生物学, 营养研究
  • {SNA} Alkaloid,
  • Indole Derivatives
  • Pharmaceuticals
  • {SA} Alkaloid, Antitumor Agents, Aromatic Compounds, Building Blocks, C13 to C27, Cancer Research, Cell Biology, Cell Signaling and Neuroscience, Chemical Synthesis,
  • {SNA} Building Blocks,

产品应用

  • An antineoplastic agent that activates Chk 2 and cytochrome p450

相关文献及参考

  • Kandala, et al.: Mol.Pharmacol., 78, 297 (2010),
  • Kandala, et al.: J. Pharmacol. Exp. Ther., 341 24 (2012),

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

其他信息

  • 用途一:医药中间体。
  • 3,3'-Diindolylmethane is an anticancer and antineoplastic agent. 3,3'-Diindolylmethane induces apoptosis in human cancer cells. 3,3'-Diindolylmethane is also an activator of CYP (cytochrome P450) and Chk2 (checkpoint kinase 2) as well as a partial agonist of aryl hydrocarbon receptor (Ah Receptor). The compound is a dimer of indole-3-carbinol.
  • TCI Shanghai:二(3,3'-吲哚基)甲烷 3,3'-Methylenediindole,>;98.0%(N)(1968-05-4)
  • MOL 文件:1968-05-4.mol
  • 图谱信息:3,3'-二吲哚甲烷(1968-05-4)质谱(MS)
  • 3,3'-二吲哚甲烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1399 3,3'-亚甲基二吲哚 3,3'-Methylenediindole 5G 868元 2014/06/02 M1399 3,3'-亚甲基二吲哚 3,3'-Methylenediindole 25G 2610元

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Alkaloid - Phytochemicals by Chemical Classification
  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. Indoles 吲哚
  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. Indolines 吲哚啉
  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. Indoles 吲哚
  5. C13 to C27 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles

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