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Merck
CN

SML3983

BAY 2686013

≥98% (HPLC)

Synonym(s):

2-amino-N-(4-((3,5-bis(trifluoromethyl)benzyl)oxy)phenyl)acetamide hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C17H14F6N2O2·HCl
Molecular Weight:
428.76
UNSPSC Code:
12352200
NACRES:
NA.21

Key Documents

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InChI

1S/C17H14F6N2O2.ClH/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)9-27-14-3-1-13(2-4-14)25-15(26)8-24;/h1-7H,8-9,24H2,(H,25,26);1H

InChI key

LDIQEQUVXGCYRE-UHFFFAOYSA-N

SMILES string

O=C(CN)NC(C=C1)=CC=C1OCC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2.Cl

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

Orally available, potent and selective allosteric antagonist of the human pituitary adenylate cyclase activating polypeptide receptor (hPAC1-R).



BAY 2686013 is an orally available, potent and selective allosteric antagonist of the human pituitary adenylate cyclase activating polypeptide receptor (hPAC1-R).

Disclaimer

Hygroscopic

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000372379
0000372914
0000347451
0000372914
0000372379

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Gernot Langer et al.
Molecular pharmacology, 104(3), 105-114 (2023-06-23)
The human pituitary adenylate cyclase-activating polypeptide receptor (hPAC1-R), a class B G-protein-coupled receptor (GPCR) identified almost 30 years ago, represents an important pharmacological target in the areas of neuroscience, oncology, and immunology. Despite interest in this target, only a very

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