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RTI 336

CAT: 0804-HY-107055-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107055-02Size:1 mg
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Description
RTI 336 is a phenyltropane analog, as well as a potent and selective dopamine transporter (DAT) inhibitor. RTI 336 inhibits addictive agent induced locomotor activity and self-administration in Lewis rats. RTI 336 exhibits inhibitory effects depending on inherent NAc DAT levels[1].
CAS Number
204069-50-1
UNSPSC
12352005
Target
Dopamine Transporter
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rti-336.html
Solubility
10 mM in DMSO
Smiles
CN1[C@H]2[C@@H](C3=CC(C4=CC=C(C)C=C4)=NO3)[C@@H](C5=CC=C(Cl)C=C5)C[C@@H]1CC2.Cl
Molecular Formula
C24H26Cl2N2O
Molecular Weight
429.38
References & Citations
[1]Haile CN, et al. Cocaine self-administration and locomotor activity are altered in Lewis and F344 inbred rats by RTI 336, a 3-phenyltropane analog that binds to the dopamine transporter. Brain Res. 2005 Sep 7;1055 (1-2) :186-95.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Rti-336
CAS Number204069-50-1
PubChem CID11524766
IUPAC Name5-[(1R,2S,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-3-(4-methylphenyl)-1,2-oxazole;hydrochloride
Molecular FormulaC24H26Cl2N2O
Molecular Weight429.4
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity529
SMILES
CC1=CC=C(C=C1)C2=NOC(=C2)[C@@H]3[C@H]4CC[C@H](N4C)C[C@@H]3C5=CC=C(C=C5)Cl.Cl
InChI
InChI=1S/C24H25ClN2O.ClH/c1-15-3-5-17(6-4-15)21-14-23(28-26-21)24-20(16-7-9-18(25)10-8-16)13-19-11-12-22(24)27(19)2;/h3-10,14,19-20,22,24H,11-13H2,1-2H3;1H/t19-,20+,22+,24-;/m0./s1
InChIKey
IZMZEMAKFSYLMD-SXBQIKTFSA-N
Chemical Structure
2D Structure
2D structure of Rti-336
CAS: 204069-50-1
CID: 11524766
Formula: C24H26Cl2N2O
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight429.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass428.1422188
Monoisotopic Mass428.1422188
Topological Polar Surface Area29.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes