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ChemicalBook--->CAS DataBase List--->154978-38-8

154978-38-8

154978-38-8 Structure

154978-38-8 Structure
IdentificationBack Directory
[Name]

6(R)-(4-CARBOXYPHENYLTHIO)-5(S)-HYDROXY-7(E),9(E),11(Z),14(Z)-EICOSATETRAENOIC ACID
[CAS]

154978-38-8
[Synonyms]

BAY-U9773
PKJINWOACFYDQN-RBVMPENBSA-N
6(R)-(4-CARBOXYPHENYLTHIO)-5(S)-HYDROXY-7(E),9(E),11(Z),14(Z)-EICOSATETRAENOIC ACID
4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-CARBOXY-1-HYDROXYBUTYL]-2,4,6,9-PENTADECATETRAENYL]THIO]-BENZOIC ACID
4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-Carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]thio]benzoicacid
Benzoic acid, 4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraen-1-yl]thio]-
[Molecular Formula]

C27H36O5S
[MDL Number]

MFCD00898723
[MOL File]

154978-38-8.mol
[Molecular Weight]

472.64
Chemical PropertiesBack Directory
[Boiling point ]

680.2±55.0 °C(Predicted)
[density ]

1.16±0.1 g/cm3(Predicted)
[storage temp. ]

−70°C
[solubility ]

DMSO: >25 mg/mL
[form ]

oil
[pka]

4.06±0.10(Predicted)
[color ]

white
Safety DataBack Directory
[Symbol(GHS) ]


GHS02
[Signal word ]

Danger
[Safety Statements ]

22-24/25
[WGK Germany ]

3
Hazard InformationBack Directory
[Uses]

BAYu9773 is a dual non-selective, CysLT1 and CysLT2 receptor antagonist, having about the same IC50 (20-80 nM) for the inhibition of LT responses in a variety of tissue preparations containing either/or both receptors.
[Definition]

ChEBI: 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.
[Biological Activity]

Cysteinyl leukotriene receptor antagonist with equal affinity at both CysLT 1 and CysLT 2 receptors (pK B values are 6.8 and 6.5 respectively). Competitive antagonist of LTC 4 - and LTE 4 -induced contractions of the guinea pig trachea.
[IC 50]

LTD4; LTC4
[storage]

Store at -80°C
[References]

1. tudhope sr, cuthbert nj, abram ts, jennings ma, maxey rj, thompson am, et al. bay u9773, a novel antagonist of cysteinyl-leukotrienes with activity against two receptor subtypes. eur j pharmacol 1994,264:317-323.2. muraki m, imbe s, santo h, sato r, sano h, iwanaga t, et al. effects of a cysteinyl leukotriene dual 1/2 receptor antagonist on antigen-induced airway hypersensitivity and airway inflammation in a guinea pig asthma model. int arch allergy immunol 2011,155 suppl 1:90-95.3. wikstrom jonsson e, rosenqvist u, dahlen se. agonist and antagonist activities of the leukotriene analogue bay u9773 in guinea pig lung parenchyma. eur j pharmacol 1998,357:203-211.
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