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ML192

CAT: 0013-GTR19193489-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193489-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML192 (CID1434953) is a selective GPR55 antagonist that potently inhibits β-arrestin recruitment, ERK1/2 phosphorylation, and PKCβII translocation. This compound is a valuable research tool for investigating GPR55 signaling in metabolic disorders, neuropathic pain, and cancer, both in vitro and in vivo.
CAS Number
460331-61-7
Product Name Alternative
ML 192, ML192, ML-192, GPR, GPR55, CannabinoidReceptor, Cannabinoid Receptor, CID 1434953, CID1434953, CID-1434953
Field of Research
Epigenetics & Chromatin, Metabolism Research, Pharmacology & Drug Discovery, Signal Transduction
Purity
99.17% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (58.83 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.23 mM)
Smiles
Cc1nc (N2CCN (CC2) C (=O) c2ccco2) c2c3CCCCc3sc2n1
Molecular Formula
C20H22N4O2S
Molecular Weight
382.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone

2-furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone is a N-arylpiperazine.

CAS Number460331-61-7
PubChem CID1434953
IUPAC Namefuran-2-yl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
Molecular FormulaC20H22N4O2S
Molecular Weight382.5
XLogP4
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity556
SMILES
CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CCN(CC4)C(=O)C5=CC=CO5
InChI
InChI=1S/C20H22N4O2S/c1-13-21-18(17-14-5-2-3-7-16(14)27-19(17)22-13)23-8-10-24(11-9-23)20(25)15-6-4-12-26-15/h4,6,12H,2-3,5,7-11H2,1H3
InChIKey
GDPDARVUXXOYAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CAS: 460331-61-7
CID: 1434953
Formula: C20H22N4O2S
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass382.14634713
Monoisotopic Mass382.14634713
Topological Polar Surface Area90.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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