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RTI-122

CAT: 0931-T200864-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T200864-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3034664-39-3
Target
GPCR
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Bioactivity
RTI-122 is an effective GPR88 agonist with good metabolic stability (half-life of 5.8 hours in mice) and a cAMP EC50 of 11 nM. It can penetrate the blood-brain barrier and is utilized in research related to excessive drinking.
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
491.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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