WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206127
CAS#: 622370-35-8
Description: Tradipitant, also known as VLY-686 and LY686017, is the 2nd generation neurokinin-1 receptor antagonist, which showed activity in preclinical anxiety models. LY686017 may be a possible therapy for alcoholism. LY686017 can be also served as a suitable chemical platform for future imaging ligand development.
MedKoo Cat#: 206127
Name: Tradipitant
CAS#: 622370-35-8
Chemical Formula: C28H16ClF6N5O
Exact Mass: 587.09476
Molecular Weight: 587.9
Elemental Analysis: C, 57.20; H, 2.74; Cl, 6.03; F, 19.39; N, 11.91; O, 2.72
Synonym: Tradipitant; LY686017; LY 686017; LY686017; VLY 686; VLY686; VLY686.
IUPAC/Chemical Name: (2-(1-(3,5-bis(trifluoromethyl)benzyl)-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)pyridin-3-yl)(2-chlorophenyl)methanone
InChi Key: CAVRKWRKTNINFF-UHFFFAOYSA-N
InChi Code: InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2
SMILES Code: O=C(C1=CC=CN=C1C2=C(C3=CC=NC=C3)N(CC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)N=N2)C5=CC=CC=C5Cl
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
The following data is based on the product molecular weight 587.9 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 |
1: Gackenheimer SL, Gehlert DR. In vitro and ex vivo autoradiography of the NK-1 antagonist [³H]-LY686017 in Guinea pig brain. Neuropeptides. 2011 Apr;45(2):157-64. doi: 10.1016/j.npep.2011.01.003. Epub 2011 Feb 4. PubMed PMID: 21295853.
2: Tauscher J, Kielbasa W, Iyengar S, Vandenhende F, Peng X, Mozley D, Gehlert DR, Marek G. Development of the 2nd generation neurokinin-1 receptor antagonist LY686017 for social anxiety disorder. Eur Neuropsychopharmacol. 2010 Feb;20(2):80-7. doi: 10.1016/j.euroneuro.2009.10.005. Epub 2009 Dec 16. PubMed PMID: 20018493.
3: Kuehn BM. Findings on alcohol dependence point to promising avenues for targeted therapies. JAMA. 2009 Apr 22;301(16):1643-5. doi: 10.1001/jama.2009.535. PubMed PMID: 19383946.
4: Mutschler J, Grosshans M, Kiefer F. [A new pharmacological treatment option for alcohol dependence discovered in transnational study: neurokinin-1 receptor antagonist as a possible therapy for alcoholism?]. Neuropsychiatr. 2008;22(4):283-5. German. PubMed PMID: 19081000.
5: Miller G. Psychopharmacology. Tackling alcoholism with drugs. Science. 2008 Apr 11;320(5873):168-70. doi: 10.1126/science.320.5873.168. PubMed PMID: 18403685.
6: George DT, Gilman J, Hersh J, Thorsell A, Herion D, Geyer C, Peng X, Kielbasa W, Rawlings R, Brandt JE, Gehlert DR, Tauscher JT, Hunt SP, Hommer D, Heilig M. Neurokinin 1 receptor antagonism as a possible therapy for alcoholism. Science. 2008 Mar 14;319(5869):1536-9. doi: 10.1126/science.1153813. Epub 2008 Feb 14. PubMed PMID: 18276852.
