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APHS

APHS structure

CAS No:
209125-28-0
Formula:
C15H20O2S
Chemical Name:
APHS
Synonyms:
APHS;2-(2-HEPTYNYLTHIO)-PHENOL ACETATE;PHENOL 2-(2-HEPTYNYLTHIO)-ACETATE;Aids081123;Aids-081123;o-(Acetophenyl)hept-2-ynyl sulphide;o-(Acetoxyphenyl)hept-2-ynyl sulphide
Categories:
Organic Chemistry > Amides

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APHS Basic Attributes

Molecular Weight：

264.38

Exact Mass：

262.103

DSSTox ID：

DTXSID40175069

Characteristics

PSA：

51.6

XLogP3：

4.3

Drug Information

MeSH Entry Terms：

APHS

APHS Use and Manufacturing

An O-acetyl, S-alkyl thio ether of 2-thio phenol.It is a potent inhibitor of both COX-1 and COX-2, with IC50 values of 17 and 0.8uM for human recombinant COX-1 and COX-2 respectively.APHS exhibits 20-fold selectivity toward the inhibition of COX-2, yet it is still more potent than aspirin in the inhibition of COX-1.

Computed Properties

Molecular Weight:262.4
XLogP3:4.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:262.10275099
Monoisotopic Mass:262.10275099
Topological Polar Surface Area:51.6
Heavy Atom Count:18
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes