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Merck
CN

SML0805

CID16020046

≥98% (HPLC)

Synonym(s):

4-[4,6-Dihydro-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-benzoic acid

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About This Item

Empirical Formula (Hill Notation):
C25H19N3O4
CAS Number:
834903-43-4
Molecular Weight:
425.44
UNSPSC Code:
12352200
NACRES:
NA.77

Key Documents

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SMILES string

[nH]1nc(c3c1C(=O)N(C3c5cc(ccc5)O)c4ccc(cc4)C(=O)O)c2ccc(cc2)C

InChI

1S/C25H19N3O4/c1-14-5-7-15(8-6-14)21-20-22(27-26-21)24(30)28(18-11-9-16(10-12-18)25(31)32)23(20)17-3-2-4-19(29)13-17/h2-13,23,29H,1H3,(H,26,27)(H,31,32)

InChI key

VGUQVYZXABOXCX-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 1 mg/mL, clear (warmed)

storage temp.

2-8°C

Quality Level

100

Application

CID16020046 has been used as an antagonist of G-protein coupled receptor (GPR55) to test its effect on nociceptive behavior in rats induced with formalin.

Biochem/physiol Actions

CID16020046 is a potent and a selective GPR55 antagonist that inhibits GPR55-mediated ERK1/2 phosphorylation. CID16020046 inhibits LPI-induced Ca2+ signaling in HEK-GPR55 cells.
CID16020046 is a potent and a selective GPR55 antagonist.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000532138
0000532138
0000498710
0000498710
0000269504

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Bright N Okine et al.
Neuroscience, 443, 19-29 (2020-07-17)
The G-protein coupled receptor, GPR55, modulates nociceptive processing. Given the expression of GPR55 in the anterior cingulate cortex (ACC), a key brain region involved in the cognitive and affective dimensions of pain, the present study tested the hypothesis that GPR55

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