WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 510250
CAS#: 1448895-09-7
Description: ML-314 is a brain penetrant nonpeptidic β-arrestin biased ggonist of the neurotensin NTR1 receptor, which exhibits full agonist behavior against NTR1 (EC50 = 2.0 μM) in the primary assay and selectivity against NTR2. The effect of ML314 is blocked by the NTR1 antagonist SR142948A in a dose-dependent manner. Unlike peptide-based NTR1 agonists, ML314 has no significant response in a Ca2+ mobilization assay and is thus a biased agonist that activates the β-arrestin pathway rather than the traditional Gq coupled pathway. This bias has distinct biochemical and functional consequences that may lead to physiological advantages. ML314 displays good brain penetration in rodents, and studies examining its in vivo properties are underway.
MedKoo Cat#: 510250
Name: ML-314
CAS#: 1448895-09-7
Chemical Formula: C24H28N4O3
Exact Mass: 420.21614
Molecular Weight: 420.5
Elemental Analysis: C, 68.55; H, 6.71; N, 13.32; O, 11.41
Synonym: ML 314; ML-314; ML314.
IUPAC/Chemical Name: 2-cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline
InChi Key: SWEOAXMICIJCQC-UHFFFAOYSA-N
InChi Code: InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3
SMILES Code: COC1=CC=CC=C1N2CCN(C3=C4C=C(OC)C(OC)=CC4=NC(C5CC5)=N3)CC2
Appearance: white 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 420.5 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. Satyamaheshwar Peddibhotla †, Michael P. Hedrick ‡, Paul Hershberger †, Patrick R. Maloney †, Yujie Li ‡, Monika Milewski ‡, Palak Gosalia ‡, Wilson Gray ‡, Alka Mehta †, Eliot Sugarman †, Becky Hood †, Eigo Suyama †, Kevin Nguyen †, Susanne Heynen-Genel ‡, Stefan Vasile †, Sumeet Salaniwal ‡, Derek Stonich ‡, Ying Su ‡, Arianna Mangravita-Novo †, Michael Vicchiarelli †, Gregory P. Roth †, Layton H. Smith †, Thomas D. Y. Chung ‡, Glen R. Hanson §, James B. Thomas , Marc G. Caron , Lawrence S. Barak *, and Anthony B. Pinkerton. Discovery of ML314, a Brain Penetrant Nonpeptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor. ACS Med. Chem. Lett., 2013, 4 (9), pp 846–851. DOI: 10.1021/ml400176n
The neurotensin 1 receptor (NTR1) is an important therapeutic target for a range of disease states including addiction.
