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Purity: ≥98%
ML314 is a novel potent small molecule agonist of NTR1 (Neurotensin 1 Receptor) with EC50 of 1.9 μM. ML314 did not promote Ca2+ mobilization, but it demonstrated good selectivity against NTR2 and GPR35. ML314 might be a biased agonist that acts through the β-arrestin pathway instead of the conventional Gq coupled pathway. Different biochemical and functional outcomes of β-arrestin-mediated signaling could result in physiological benefits.
| Targets |
NTR1
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|---|---|
| References |
| Molecular Formula |
C24H28N4O3
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|---|---|---|
| Molecular Weight |
420.5
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| Exact Mass |
420.216
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| Elemental Analysis |
C, 68.55; H, 6.71; N, 13.32; O, 11.41
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| CAS # |
1448895-09-7
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| Related CAS # |
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| PubChem CID |
53245590
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| Appearance |
White solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
496.1±45.0 °C at 760 mmHg
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| Flash Point |
253.8±28.7 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.633
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| LogP |
2.49
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
31
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| Complexity |
583
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC=CC=C1N2CCN(C3=C4C=C(OC)C(OC)=CC4=NC(C5CC5)=N3)CC2
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| InChi Key |
SWEOAXMICIJCQC-UHFFFAOYSA-N
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| 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
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| Chemical Name |
2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
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| Synonyms |
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
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| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.95 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.95 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3781 mL | 11.8906 mL | 23.7812 mL | |
| 5 mM | 0.4756 mL | 2.3781 mL | 4.7562 mL | |
| 10 mM | 0.2378 mL | 1.1891 mL | 2.3781 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Stability of ML301 and ML314. Time course. |
Potency and selectivity of (A) ML301 and (B) ML314 for NTR1 vs. NTR2 and GPR35.Probe Reports from the NIH Molecular Libraries Program |
Comparison of ML301 and MLS-0437103 in a GPCR Panel of Assays.Probe Reports from the NIH Molecular Libraries Program |
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