154978-38-8
Product Name:
6(R)-(4-CARBOXYPHENYLTHIO)-5(S)-HYDROXY-7(E),9(E),11(Z),14(Z)-EICOSATETRAENOIC ACID
Formula:
C27H36O5S
Synonyms:
6(R)-(4-Carboxyphenylthio)-5(S)-hydroxy-7(E),9(E),11(E),14(Z)-eicosatetraenoic acid
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COMPUTED DESCRIPTORS
| Molecular Weight | 472.6 g/mol |
|---|---|
| XLogP3 | 6.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 17 |
| Exact Mass | 472.22834542 g/mol |
| Monoisotopic Mass | 472.22834542 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 659 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
BAYu9773 is a dicarboxylic acid that is that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 4S and a (4-carboxyphenyl)sulfanediyl group at 5R. It is a dual cysteinyl leukotriene receptor antagonist that acts at the CysLT1 and CysLT2 receptors (IC50 = 0.44 and 0.30 muM, respectively). It has a role as a leukotriene antagonist. It is a dicarboxylic acid, a secondary alcohol, an organic sulfide, a member of benzoic acids and a polyunsaturated fatty acid. It is functionally related to an icosa-7,9,11,14-tetraenoic acid.