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N-(2-PHENYLETHYL)-INDOMETHACINAMIDE

N-(2-PHENYLETHYL)-INDOMETHACINAMIDE structure

CAS No:
261766-32-9
Formula:
C27H25ClN2O3
Chemical Name:
N-(2-PHENYLETHYL)-INDOMETHACINAMIDE
Synonyms:
N-(2-PHENYLETHYL)-1-P-CHLOROBENZOYL-5-METHOXY-2-METHYLINDOLE-3-ACETAMIDE;N-(2-PHENYLETHYL)-1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-1H-INDOLE-3-ACETAMIDE;N-2PIA;N-(2-PHENYLETHYL)-INDOMETHACIN AMIDE;LM 4108;1-(4-Chlorobenzoyl)-5-Methoxy-2-Methyl-N-(2-phenylethyl)-1H-indole-3-acetaMide;Indomethacin N-Phenylethyl Impurity;1H-Indole-3-acetamide, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-N-(2-phenylethyl)-
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N-(2-PHENYLETHYL)-INDOMETHACINAMIDE Basic Attributes

Molecular Weight：

460.95

Exact Mass：

460.1553704 g/mol

DSSTox ID：

DTXSID80274424

Characteristics

PSA：

63.82000

XLogP3：

6.04190

Density：

1.22±0.1 g/cm3

Boiling Point：

640.5±55.0 °C(Predicted)

PKA：

15.12±0.46

Safety Information

wgk germany：

Drug Information

Metabolism/Metabolites：

N-(2-phenylethyl)indomethacin amide has known human metabolites that include 2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2-hydroxy-2-phenylethyl)acetamide, 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-N-(2-phenylethyl)acetamide, and 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(1-hydroxy-2-phenylethyl)acetamide.

MeSH Entry Terms：

2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-phenethylacetamide

N-(2-PHENYLETHYL)-INDOMETHACINAMIDE Use and Manufacturing

An aromatic amide of indomethacin recently reported to be a potent and selective reversible inhibitor of COX-2. Inhibits human recombinant and ovine COX-2 with IC50 of 0.06 uM and 0.125 uM, respectively

Computed Properties

Molecular Weight:460.9
XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:460.1553704
Monoisotopic Mass:460.1553704
Topological Polar Surface Area:60.3
Heavy Atom Count:33
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of N-(2-PHENYLETHYL)-INDOMETHACINAMIDE

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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99% N-(2-PHENYLETHYL)-INDOMETHACIN AMIDE CAS NO 261766-32-9 ISO 9001:2005 REACH Verified Producer

CAS No.: 261766-32-9

Grade: Industrial Grade

Content: 99%

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Guide of N-(2-PHENYLETHYL)-INDOMETHACINAMIDE

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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