ML-314
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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.


Chemical Structure

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ML-314
CAS# 1448895-09-7

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
5.0mg USD 280.0 2 Weeks
10.0mg USD 480.0 2 Weeks
25.0mg USD 960.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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

ML-314

5.0mg / USD 280.0


Additional Information

The neurotensin 1 receptor (NTR1) is an important therapeutic target for a range of disease states including addiction.