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
More Info
The neurotensin 1 receptor (NTR1) is an important therapeutic target for a range of disease states including addiction.
Biological target:
ML314 is a potent molecule agonist of NTR1 (EC50 = 1.9 μM); showed good selectivity against NTR2 and GPR35.
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| DMSO |
50.0 |
118.90 |
|
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
420.51
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
