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RTICBM-189

CAT: 0804-HY-145196-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145196-01Size:5 mg
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Description
RTICBM-189 is a potent, brain-penetrant allosteric modulator of the cannabinoid type-1 (CB1) receptor with a pIC50 of 7.54 in Ca2+ mobilization assay. RTICBM-189 has pIC50s of 5.29 and 6.25 for hCB1 and mCB1, respectively. RTICBM-189 significantly and selectively attenuates the reinstatement of the addictive agent-seeking behavior in rats[1].
CAS Number
551909-15-0
UNSPSC
12352005
Target
Cannabinoid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rticbm-189.html
Purity
99.73
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NCCC1=CC(Cl)=CC=C1)NC2=CC=C(C=C2)Cl
Molecular Formula
C15H14Cl2N2O
Molecular Weight
309.19
References & Citations
[1]Nguyen T, et al. Development of 3- (4-Chlorophenyl) -1- (phenethyl) urea Analogues as Allosteric Modulators of the Cannabinoid Type-1 Receptor: RTICBM-189 is Brain Penetrant and Attenuates Reinstatement of Cocaine-Seeking Behavior [published online ahead of print, 2021 Dec 20]. J Med Chem. 2021;10.1021/acs.jmedchem.1c01432.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CB1

Chemical Information

Rticbm-189
CAS Number551909-15-0
PubChem CID5076367
IUPAC Name1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)ethyl]urea
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.2
XLogP4.1
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity306
SMILES
C1=CC(=CC(=C1)Cl)CCNC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H14Cl2N2O/c16-12-4-6-14(7-5-12)19-15(20)18-9-8-11-2-1-3-13(17)10-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKey
PPKIPROVSKBYAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rticbm-189
CAS: 551909-15-0
CID: 5076367
Formula: C15H14Cl2N2O
MW: 309.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.2
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass308.0483185
Monoisotopic Mass308.0483185
Topological Polar Surface Area41.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity306
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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