ML397 | VU0155094 | allosteric modulator | CAS#731006-86-3

MedKoo Cat#: 530924 | Name: ML397

Description:

WARNING: This product is for research use only, not for human or veterinary use.

ML397, also known as VU0155094, is a positive allosteric modulator. ML397 showed differential activity at the various group III mGlus. Additionally, both compounds show probe dependence when assessed in the presence of distinct orthosteric agonists.

Chemical Structure

ML397

CAS#731006-86-3

Theoretical Analysis

MedKoo Cat#: 530924

Name: ML397

CAS#: 731006-86-3

Chemical Formula: C24H24N2O4S

Exact Mass: 436.1457

Molecular Weight: 436.53

Elemental Analysis: C, 66.04; H, 5.54; N, 6.42; O, 14.66; S, 7.34

Price and Availability

Size	Price	Availability
10mg	USD 450.00	2 weeks
25mg	USD 750.00	2 weeks
50mg	USD 1,250.00	2 weeks
100mg	USD 2,050.00	2 weeks

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Synonym

ML397; ML-397; ML 397; VU0155094; VU-0155094; VU 0155094.

IUPAC/Chemical Name

Methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate

InChi Key

BCNKQXDDMIBITO-UHFFFAOYSA-N

InChi Code

InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)

SMILES Code

O=C(OC)C1=CC=C(N2C(C)=C(C(CSC3=CC=C(NC(C)=O)C=C3)=O)C=C2C)C=C1

Appearance

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

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

Metabotropic glutamate receptor 7 (mGlu7) is a member of the group III mGlu receptors (mGlus), encompassed by mGlu4, mGlu6, mGlu7, and mGlu8. mGlu7 is highly expressed in the presynaptic active zones of both excitatory and inhibitory synapses, and activation of the receptor regulates the release of both glutamate and GABA. mGlu7 is thought to be a relevant therapeutic target for a number of neurological and psychiatric disorders, and polymorphisms in the GRM7 gene have been linked to autism, depression, ADHD, and schizophrenia.

Product Data

Product Data

Instruction

View handling instruction

Biological target:

VU0155094 is a positive allosteric modulator with differential activity at the various group III mGluRs.

In vitro activity:

The first probe molecule (ML397) was discovered after a high-throughput screening campaign of the original Molecular Libraries Small Molecule Repository (MLSMR) library. ML397 is equipotent as a PAM against mGlu7, mGlu8 and mGlu4 and is selective against Group I and Group II mGlu receptors as well as against the EuroFins Lead Profiling Screen. Reference: Probe Reports from the NIH Molecular Libraries Program [Internet]. 2014 Apr 15 [updated 2015 Jan 16]. https://pubmed.ncbi.nlm.nih.gov/25834902/

In vivo activity:

Further concentration–response curve studies revealed that only one compound, VU0155094, was validated as an mGlu8-active PAM that displayed concentration-dependent activity. VU0155094 exhibited a potency of 1.6 μM at rat mGlu8 when assessed using the cell line and assay employed for the primary HTS (Figure 2A), and did not exhibit agonist activity in this assay in the absence of glutamate (Figure 2B). Reference: ACS Chem Neurosci. 2014 Dec 17;5(12):1221-37. https://pubmed.ncbi.nlm.nih.gov/25225882/

Preparing Stock Solutions

The following data is based on the product molecular weight 436.53 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

Formulation protocol:

1. Jalan-Sakrikar N, Field JR, Klar R, Mattmann ME, Gregory KJ, Zamorano R, Engers DW, Bollinger SR, Weaver CD, Days EL, Lewis LM, Utley TJ, Hurtado M, Rigault D, Acher F, Walker AG, Melancon BJ, Wood MR, Lindsley CW, Conn PJ, Xiang Z, Hopkins CR, Niswender CM. Identification of positive allosteric modulators VU0155094 (ML397) and VU0422288 (ML396) reveals new insights into the biology of metabotropic glutamate receptor 7. ACS Chem Neurosci. 2014 Dec 17;5(12):1221-37. doi: 10.1021/cn500153z. Epub 2014 Oct 9. PMID: 25225882; PMCID: PMC4306484. 2. Jalan-Sakrikar N, Roper-Field J, Klar R, Mattman M, Walker AG, Zamorano R, Xiang Z, Byers CF, Blobaum AL, Engers D, Weaver CD, Days E, Utley TJ, Melancon B, Daniels JS, Wood MR, Lindsley CW, Conn PJ, Hopkins CR, Niswender CM. The discovery and characterization of a centrally penetrant (ML396) and a peripherally restricted (ML397) pan-Group III mGlu positive allosteric modulators. 2014 Apr 15 [updated 2015 Jan 16]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 25834902.

In vitro protocol:

In vivo protocol:

1: Jalan-Sakrikar N, Field JR, Klar R, Mattmann ME, Gregory KJ, Zamorano R, Engers DW, Bollinger SR, Weaver CD, Days EL, Lewis LM, Utley TJ, Hurtado M, Rigault D, Acher F, Walker AG, Melancon BJ, Wood MR, Lindsley CW, Conn PJ, Xiang Z, Hopkins CR, Niswender CM. Identification of positive allosteric modulators VU0155094 (ML397) and VU0422288 (ML396) reveals new insights into the biology of metabotropic glutamate receptor 7. ACS Chem Neurosci. 2014 Dec 17;5(12):1221-37. doi: 10.1021/cn500153z. Epub 2014 Oct 9. PubMed PMID: 25225882; PubMed Central PMCID: PMC4306484.