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ML314

Cat. No. M21376
ML314 Structure
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Biological Activity

ML314 is an NTR1 agonist with an EC50 of 1.9 μM, weakly inhibits NTR2 and GPR35, and fails to stimulate calcium ion transfer.

Chemical Information
Molecular Weight 420.5
Formula C24H28N4O3
CAS Number 1448895-09-7
Solubility (25°C) DMSO : 50 mg/mL
Storage Powder          -20°C   3 years ;  4°C   2 years
In solvent       -80°C   6 months ;  -20°C   1 month
Conversion of different model animals based on BSA (PMID: 27057123)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.

References

[1] Lauren M Slosky, et al. Trends Pharmacol Sci. Biased Allosteric Modulators: New Frontiers in GPCR Drug Discovery

[2] Lauren M Slosky, et al. Cell. β-Arrestin-Biased Allosteric Modulator of NTSR1 Selectively Attenuates Addictive Behaviors

[3] Larry S Barak, et al. ACS Chem Biol. ML314: A Biased Neurotensin Receptor Ligand for Methamphetamine Abuse

[4] Satyamaheshwar Peddibhotla, et al. ACS Med Chem Lett. Discovery of ML314, a Brain Penetrant Non-Peptidic β-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor

[5] Paul Hershberger, et al. Small Molecule Agonists for the Neurotensin 1 Receptor (NTR1 Agonists)

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