5-Methoxyindole-2-carboxylic acid 5-甲氧基吲哚-2-羧酸

CAS 4382-54-1 MFCD00005614

化学结构图

4382-54-1
SMILES: COc1ccc2[nH]c(C(=O)O)cc2c1

化学属性

Mol. FormulaC10H9NO3
Mol. Weight191.18
Density1.422
Melting Point199-201°C
TSCANo
Boiling Point447.6°C at 760 mmHg
Flash Point224.5°C

别名和识别编码

Chemical Name5-Methoxyindole-2-carboxylic Acid
CAS Number4382-54-1
Alfabeta NameMETHOXYINDOLECARBOXYLICACID H512-----
MDL NumberMFCD00005614
EC Number224-487-6
Beilstein Registry Number157478
Reaxys-RN157478
PubChem Substance ID20401
Synonym 5-Methoxy-1H-indole-2-carboxylic acid {LY} 5-Methoxy-1H-indole-2-carboxylic acid 5-methoxyindole-2-carboxylic acid {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methoxy-1H-indole-2-carboxylic acid
Chemical Name Translation5-甲氧基吲哚-2-羧酸
InChIKeyYEBJVSLNUMZXRJ-UHFFFAOYSA-N
Wiswesser Line NotationT56 BMJ CVQ GO1
LabNetwork Molecule IDLN00140002
InChIInChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
Canonical SMILESO=C(C(N1)=CC2=C1C=CC(OC)=C2)O
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分类

  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

产品应用

  • Reactant for preparation of:
  • ? Anticancer agents
  • ? A fluorescent small molecule probe for in vivo lipid imaging
  • ? Indoleamine 2,3-dioxygenase (IDO) inhibitors
  • ? Selective Dopamine D3 receptor ligands
  • ? 5-HT4 receptor ligands
  • ? Inhibitors of Mycobacterium tuberculosis pantothenate synthetase
  • ? Hypoxia selective cytotoxins
  • ? Potent antitumor bifunctional DNA alkylating agents

相关文献及参考

  • Starting material for a production scale synthesis of the HIV reverse-transcriptase inhibitor ateviridine: Org. Process Res. Dev., 1, 106 (1997).

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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。
  • P264+P265
  • 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。
  • 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
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSNL6005000
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 9,453,1974

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

其他信息

  • TCI Shanghai:5-甲氧基吲哚-2-羧酸 5-Methoxyindole-2-carboxylic Acid,>;97.0%(T)(4382-54-1)
  • MOL 文件:4382-54-1.mol
  • Alfa Aesar:5-甲氧基吲哚-2-乙酸,97% 5-Methoxyindole-2-carboxylic acid, 97%(4382-54-1)
  • 5-甲氧基吲哚-2-羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1271 5-甲氧基吲哚-2-羧酸 5-Methoxyindole-2-carboxylic Acid 5G 934元 2014/06/02 M1271 5-甲氧基吲哚-2-羧酸 5-Methoxyindole-2-carboxylic Acid 25G 3210元 2010/06/21 125900010 5-甲氧基吲哚-2-羧酸 5-Methoxyindole-2-carboxylic acid 99% 1 GR 257元
  • Sigma Aldrich:4382-54-1(sigmaaldrich)
  • 图谱信息:5-甲氧基吲哚-2-羧酸(4382-54-1)核磁图( 1 HNMR) 5-甲氧基吲哚-2-羧酸(4382-54-1)红外图谱(IR1) 5-甲氧基吲哚-2-羧酸(4382-54-1)红外图谱(IR2) 5-甲氧基吲哚-2-羧酸(4382-54-1)质谱(MS)
  • Acros Organics:5-甲氧基吲哚-2-羧酸 5-Methoxyindole-2-carboxylic acid, 99%(4382-54-1)

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. Indazoles 吲唑
  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. C10 - 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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