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3058853-08-7-BAY 2686013 hydrochloride BAY 2686013 hydrochloride

BAY 2686013 hydrochloride

For research use only. Not for therapeutic Use.

  • CAT Number: I047722
  • CAS Number: 3058853-08-7
  • Molecular Formula: C17H14F6N2O2·HCl
  • Molecular Weight: 428.76
  • Purity: ≥95%
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Related Small Molecules: Vazegepant hydrochloride     RG3039     Ritanserin    

BAY 2686013 hydrochloride is a potent and selective allosteric hPAC1 receptor antagonist with IC50 values of 0.92 µM and 0.40 µM for cAMP HTRF and Ca2+ release assays, respectively.
KEYWORDS: BAY 2686013 hydrochloride | Supplier | hPAC1-R antagonist | BAY2686013 | BAY-2686013 | CAS [3058853-08-7] | Pituitary adenylate cyclase activating peptide | Glucagon | Antagonist | Receptors | Human pituitary adenylate cyclase-activating polypeptide receptor


Catalog Number I047722
CAS Number 3058853-08-7
Molecular Formula C17H14F6N2O2·HCl
Purity ≥95%
IUPAC Name 5-benzyl-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[2-(4-tert-butylphenyl)ethenyl]-7-methyloctane-1-sulfonic acid;8,8-dimethyl-5-phenylnon-6-ene-1-sulfonic acid;5-[(4-fluorophenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid;5-[(4-methoxyphenyl)methyl]-8,8-dimethylnon-6-ene-1-sulfonic acid
InChI InChI=1S/C21H34O3S.2C19H30O4S.C18H27FO3S.2C18H28O3S.C17H26O3S/c1-17(2)16-19(8-6-7-15-25(22,23)24)10-9-18-11-13-20(14-12-18)21(3,4)5;2*1-19(2,3)13-12-16(7-5-6-14-24(20,21)22)15-17-8-10-18(23-4)11-9-17;1-18(2,3)12-11-15(6-4-5-13-23(20,21)22)14-16-7-9-17(19)10-8-16;2*1-18(2,3)13-12-17(11-7-8-14-22(19,20)21)15-16-9-5-4-6-10-16;1-17(2,3)13-12-16(15-9-5-4-6-10-15)11-7-8-14-21(18,19)20/h9-14,17,19H,6-8,15-16H2,1-5H3,(H,22,23,24);2*8-13,16H,5-7,14-15H2,1-4H3,(H,20,21,22);7-12,15H,4-6,13-14H2,1-3H3,(H,20,21,22);2*4-6,9-10,12-13,17H,7-8,11,14-15H2,1-3H3,(H,19,20,21);4-6,9-10,12-13,16H,7-8,11,14H2,1-3H3,(H,18,19,20)
SMILES CC(C)CC(CCCCS(=O)(=O)O)C=CC1=CC=C(C=C1)C(C)(C)C.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=CC=C1.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)OC.CC(C)(C)C=CC(CCCCS(=O)(=O)O)CC1=CC=C(C=C1)F.CC(C)(C)C=CC(CCCCS(=O)(=O)O)C1=CC=CC=C1
Reference

G Langer et al. Discovery and In Vitro Characterization of BAY 2686013, an Allosteric Small Molecule Antagonist of the Human Pituitary Adenylate Cyclase-Activating Polypeptide Receptor. Mol Pharmacol. 2023 Sep;104(3):105-114.

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