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CP-195543 , Leukotriene B4 receptor antagonist, CAS No.204981-48-6, Leukotriene B4 receptor antagonist
Basic Description
Synonyms | CP-195543|204981-48-6|CP-195,543|UNII-YB1F0V77MK|YB1F0V77MK|CP195543|CP 195543|CHEMBL301829|Benzoic acid, 2-((3S,4R)-3,4-dihydro-4-hydroxy-3-(phenylmethyl)-2H-1-benzopyran-7-yl)-4-(trifluoromethyl)-|2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-be |
Grade | Moligand™ |
Action Type | AGONIST, ANTAGONIST |
Mechanism of action | Leukotriene B4 receptor antagonist |
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Names and Identifiers
IUPAC Name | 2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid |
INCHI | InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1 |
InChi Key | NZQDWKCNBOELAI-KSFYIVLOSA-N |
Canonical SMILES | O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 |
Isomeric SMILES | C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4 |
PubChem CID | 9823886 |
Molecular Weight | 428.4 |
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References
1. Showell HJ, Conklyn MJ, Alpert R, Hingorani GP, Wright KF, Smith MA, Stam E, Salter ED, Scampoli DN, Meltzer S et al.. (1998) The preclinical pharmacological profile of the potent and selective leukotriene B4 antagonist CP-195543.. J Pharmacol Exp Ther, 285 (3): (946-54). [PMID:9618393] |
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