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RTI-13951-33

CAT: 0013-GTR19204903-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204903-01Size:25 mg
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Description
RTI-13951-33 is a potent and brain-penetrant agonist of the GPR88 receptor, exhibiting an EC50 of 25 nM in a cAMP functional assay. This compound is a valuable research tool for investigating striatal function in models of CNS disorders, including addiction and Parkinson's disease, in both in vitro and in vivo studies.
CAS Number
2244884-08-8
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 (COC) C=C2) (=O) [C@H]3[C@@H] (C3) C4=CC=CC=N4
Molecular Formula
C28H33N3O3
Molecular Weight
459.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,2R)-N-((2R,3R)-2-Amino-3-methoxybutyl)-N-(4'-(methoxymethyl)-[1,1'-biphenyl]-4-yl)-2-(pyridin-2-yl)cyclopropane-1-carboxamide
CAS Number2244884-08-8
PubChem CID134813902
IUPAC Nametrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
Molecular FormulaC28H33N3O3
Molecular Weight459.6
XLogP2.8
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity630
SMILES
C[C@H]([C@@H](CN(C1=CC=C(C=C1)C2=CC=C(C=C2)COC)C(=O)[C@@H]3C[C@H]3C4=CC=CC=N4)N)OC
InChI
InChI=1S/C28H33N3O3/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2/h4-15,19,24-26H,16-18,29H2,1-3H3/t19-,24-,25-,26-/m1/s1
InChIKey
XCHHIKJEGXHKLQ-UJTWYAIMSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-N-((2R,3R)-2-Amino-3-methoxybutyl)-N-(4'-(methoxymethyl)-[1,1'-biphenyl]-4-yl)-2-(pyridin-2-yl)cyclopropane-1-carboxamide
CAS: 2244884-08-8
CID: 134813902
Formula: C28H33N3O3
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass459.25219192
Monoisotopic Mass459.25219192
Topological Polar Surface Area77.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity630
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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HY-112612RTI-13951-33
FR183896-01RTI-13951-33 hydrochloride
A19950-50RTI-13951-33 50mg
A19950-25RTI-13951-33 25mg
A19950-100RTI-13951-33 100mg
A19950-1RTI-13951-33 1mg
A19950-10RTI-13951-33 10mg
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