WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H522565
CAS#: 1048346-74-2 (free base)
Description: RO-5166017 is a potent and selective agonist for the trace amine-associated receptor 1, with no significant activity at other targets. This is important for the study of the TAAR1 receptor, as while numerous other compounds are known which act as TAAR1 agonists, such as methamphetamine, MDMA and 3-iodothyronamine, all previously known TAAR1 agonists are either weak and rapidly metabolized (endogenous ligands), or have strong pharmacological activity at other targets (amphetamines, thyronamines), making it very difficult to assess which effects are due to TAAR1 activation.
Hodoodo Cat#: H522565
Name: RO5166017 free base
CAS#: 1048346-74-2 (free base)
Chemical Formula: C12H18ClN3O
Exact Mass: 0.00
Molecular Weight: 255.750
Elemental Analysis: C, 56.36; H, 7.09; Cl, 13.86; N, 16.43; O, 6.26
Related CAS #: 1048346-74-2 (free base)
Synonym: RO5166017; RO-5166017; RO 5166017;
IUPAC/Chemical Name: (S)-4-((ethyl(phenyl)amino)methyl)-4,5-dihydrooxazol-2-amine hydrochloride
InChi Key: XPJNPSWDRPQMRX-PPHPATTJSA-N
InChi Code: 1S/C12H17N3O.ClH/c1-2-15(11-6-4-3-5-7-11)8-10-9-16-12(13)14-10;/h3-7,10H,2,8-9H2,1H3,(H2,13,14);1H/t10-;/m0./s1
SMILES Code: NC1=N[C@@H](CN(CC)C2=CC=CC=C2)CO1.[H]Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 255.75 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
1: Alvarsson A, Zhang X, Stan TL, Schintu N, Kadkhodaei B, Millan MJ, Perlmann T, Svenningsson P. Modulation by Trace Amine-Associated Receptor 1 of Experimental Parkinsonism, l-DOPA Responsivity, and Glutamatergic Neurotransmission. J Neurosci. 2015 Oct 14;35(41):14057-69. doi: 10.1523/JNEUROSCI.1312-15.2015. PubMed PMID: 26468205.
2: Sukhanov I, Espinoza S, Yakovlev DS, Hoener MC, Sotnikova TD, Gainetdinov RR. TAAR1-dependent effects of apomorphine in mice. Int J Neuropsychopharmacol. 2014 Oct;17(10):1683-93. doi: 10.1017/S1461145714000509. Epub 2014 Jun 13. PubMed PMID: 24925023.
3: Cichero E, Espinoza S, Franchini S, Guariento S, Brasili L, Gainetdinov RR, Fossa P. Further insights into the pharmacology of the human trace amine-associated receptors: discovery of novel ligands for TAAR1 by a virtual screening approach. Chem Biol Drug Des. 2014 Dec;84(6):712-20. doi: 10.1111/cbdd.12367. Epub 2014 Jun 30. PubMed PMID: 24894156.
4: Leo D, Mus L, Espinoza S, Hoener MC, Sotnikova TD, Gainetdinov RR. Taar1-mediated modulation of presynaptic dopaminergic neurotransmission: role of D2 dopamine autoreceptors. Neuropharmacology. 2014 Jun;81:283-91. doi: 10.1016/j.neuropharm.2014.02.007. Epub 2014 Feb 22. PubMed PMID: 24565640.
5: Cichero E, Espinoza S, Gainetdinov RR, Brasili L, Fossa P. Insights into the structure and pharmacology of the human trace amine-associated receptor 1 (hTAAR1): homology modelling and docking studies. Chem Biol Drug Des. 2013 Apr;81(4):509-16. doi: 10.1111/cbdd.12018. PubMed PMID: 22883051.
6: Revel FG, Moreau JL, Pouzet B, Mory R, Bradaia A, Buchy D, Metzler V, Chaboz S, Groebke Zbinden K, Galley G, Norcross RD, Tuerck D, Bruns A, Morairty SR, Kilduff TS, Wallace TL, Risterucci C, Wettstein JG, Hoener MC. A new perspective for schizophrenia: TAAR1 agonists reveal antipsychotic- and antidepressant-like activity, improve cognition and control body weight. Mol Psychiatry. 2013 May;18(5):543-56. doi: 10.1038/mp.2012.57. Epub 2012 May 29. PubMed PMID: 22641180.
7: Revel FG, Moreau JL, Gainetdinov RR, Bradaia A, Sotnikova TD, Mory R, Durkin S, Zbinden KG, Norcross R, Meyer CA, Metzler V, Chaboz S, Ozmen L, Trube G, Pouzet B, Bettler B, Caron MG, Wettstein JG, Hoener MC. TAAR1 activation modulates monoaminergic neurotransmission, preventing hyperdopaminergic and hypoglutamatergic activity. Proc Natl Acad Sci U S A. 2011 May 17;108(20):8485-90. doi: 10.1073/pnas.1103029108. Epub 2011 Apr 27. PubMed PMID: 21525407; PubMed Central PMCID: PMC3101002.
