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834903-43-4

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834903-43-4 Structure

834903-43-4 Structure
IdentificationBack Directory
[Name]

CID 16020046
[CAS]

834903-43-4
[Synonyms]

CS-1189
C390-0219
CID 16020046
CID16020046 (CID 16020046)
CID16020046;CID 16020046;CID 16020046
4-[4-(3-Hydroxyphenyl)-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
4-[4,6-Dihydro-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-benzoic acid
Benzoic acid, 4-[4,6-dihydro-4-(3-hydroxyphenyl)-3-(4-methylphenyl)-6-oxopyrrolo[3,4-c]pyrazol-5(1H)-yl]-
[Molecular Formula]

C25H19N3O4
[MDL Number]

MFCD06196075
[MOL File]

834903-43-4.mol
[Molecular Weight]

425.44
Chemical PropertiesBack Directory
[Boiling point ]

748.1±60.0 °C(Predicted)
[density ]

1.425±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble1mg/mL, clear (warmed)
[form ]

powder
[pka]

4.27±0.10(Predicted)
[color ]

white to beige
[InChI]

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)
[InChIKey]

VGUQVYZXABOXCX-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(N2C(C3=CC=CC(O)=C3)C3C(C4=CC=C(C)C=C4)=NNC=3C2=O)C=C1
Questions And AnswerBack Directory
[Uses]

CID 16020046 is a selective GPR55 antagonist. It Inhibits LPI-induced Ca2+ signaling, ERK1/2 phosphorylation and GPR55-mediated transcription factor activation. It displays weak inhibition of acetylcholinesterase, μ-opioid receptor, KCNH2 and hERG. It decreases LPI-induced GPR55 internalization.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/38
[Safety Statements ]

26
[WGK Germany ]

3
Spectrum DetailBack Directory
[Spectrum Detail]

CID 16020046(834903-43-4)1HNMR
Hazard InformationBack Directory
[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.
[storage]

Store at -20°C
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