Methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate 2-(1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1H-吲哚-3-基)乙酸甲酯

CAS 1601-18-9 MFCD01601189

化学结构图

1601-18-9
SMILES: COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

化学属性

Mol. Weight371.81
Mol. FormulaC20H18ClNO4
Boiling Point463.4°C at 760 mmHg
Melting Point99-100 °C

别名和识别编码

CAS Number1601-18-9
Chemical NameMethyl 2-(1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-1H-Indol-3-Yl)Acetate
Synonym Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-y
EC Number216-494-8
Chemical Name Translation2-(1-(4-氯苯甲酰基)-5-甲氧基-2-甲基-1H-吲哚-3-基)乙酸甲酯
InChIKeyOKHORWCUMZIORR-UHFFFAOYSA-N
Wiswesser Line NotationT56 BNJ BVR DG& C1 D1VO1 GO1
Beilstein Registry Number0496619
LabNetwork Molecule IDLN01295490
PubChem Substance ID15339
InChIInChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
MDL NumberMFCD01719291
Canonical SMILESCC1=C(CC(=O)OC)C2=C(C=CC(=C2)OC)N1C(=O)C3=CC=C(C=C3)Cl
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分类

  • Aromatics
  • Indole Derivatives
  • Inhibitors
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • Selective COX-2 inhibitor

相关文献及参考

  • Kulmacz, R.J., et al.: J. Biol. Chem., 264, 14136 (1989),
  • Kalgutkar, A.S., et al.: J. Med. Chem., 43, 2860 (2000),
  • Hata, A.N., et al.: Mol. Pharmacol., 67, 640 (2005),

安全信息

RTECSNL3522150 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   114,309,1975

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

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