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RTI-122

CAT: 0013-GTR19239939-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239939-02Size:25 mg
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Description
RTI-122 is a potent and metabolically stable GPR88 agonist (cAMP EC50 = 11 nM) with significant blood-brain barrier penetration. Its application in preclinical research includes the study of neurological disorders, such as investigating mechanisms underlying excessive alcohol consumption in vivo.
CAS Number
3034664-39-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (N (C[C@H] ([C@H] (OC) C) N) C1=CC=C (C=C1) C2=CC=C (OC (C) C) C=C2) (=O) [C@H]3[C@@H] (C3) C4=CC=C (F) C=N4
Molecular Formula
C29H34FN3O3
Molecular Weight
491.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rti-122
CAS Number3034664-39-3
PubChem CID167993640
IUPAC Nametrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-2-(5-fluoro-2-pyridinyl)-N-[4-(4-propan-2-yloxyphenyl)phenyl]cyclopropane-1-carboxamide
Molecular FormulaC29H34FN3O3
Molecular Weight491.6
XLogP4
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity693
SMILES
C[C@H]([C@@H](CN(C1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)C)C(=O)[C@@H]3C[C@H]3C4=NC=C(C=C4)F)N)OC
InChI
InChI=1S/C29H34FN3O3/c1-18(2)36-24-12-7-21(8-13-24)20-5-10-23(11-6-20)33(17-27(31)19(3)35-4)29(34)26-15-25(26)28-14-9-22(30)16-32-28/h5-14,16,18-19,25-27H,15,17,31H2,1-4H3/t19-,25-,26-,27-/m1/s1
InChIKey
OXODNABCLPQQDT-CEWWTIOHSA-N
Chemical Structure
2D Structure
2D structure of Rti-122
CAS: 3034664-39-3
CID: 167993640
Formula: C29H34FN3O3
MW: 491.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass491.25842012
Monoisotopic Mass491.25842012
Topological Polar Surface Area77.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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