ML398 | CAS# 1379510-21-0 | D4 receptor Antagonist

MedKoo Cat#: 522496 | Name: ML398

Description:

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

ML398 is potent D4 receptor Antagonist with IC50 = 130 nM and K i = 36 nM and shows no activity against the other dopamine receptors tested (>20 μM against D1, D2S, D2L, D3, and D5). Further in vivo studies showed that ML398 reversed cocaine-induced hyperlocomotion at 10 mg/kg. ML398 shows >100-fold selectivity for the other dopamine receptors.

Chemical Structure

ML398

CAS# 1379510-21-0 (free base)

Theoretical Analysis

MedKoo Cat#: 522496

Name: ML398

CAS#: 1379510-21-0 (free base)

Chemical Formula: C20H24ClN3O

Exact Mass:

Molecular Weight: 357.88

Elemental Analysis: C, 67.12; H, 6.76; Cl, 9.91; N, 11.74; O, 4.47

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

1379510-21-0 (free base) 1379510-22-1 (S-isomer)

Synonym

ML398; ML-398; ML 398. ML398 HCl salt.

IUPAC/Chemical Name

(R)-4-((1H-benzo[d]imidazol-2-yl)methyl)-2-phenethylmorpholine hydrochloride

InChi Key

UVMILKJETIKUBK-UNTBIKODSA-N

InChi Code

InChI=1S/C20H23N3O.ClH/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20;/h1-9,17H,10-15H2,(H,21,22);1H/t17-;/m1./s1

SMILES Code

[H]Cl.C1(CN2C[C@@H](CCC3=CC=CC=C3)OCC2)=NC4=CC=CC=C4N1

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, 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 357.88 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: Berry CB, Locuson CW, Daniels JS, Lindsley CW, Hopkins CR. Discovery and characterization of ML398, a potent and selective chiral morpholine based antagonist of the dopamine 4 (D(4)) receptor. 2014 Apr 15 [updated 2015 Jan 16]. Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from http://www.ncbi.nlm.nih.gov/books/NBK280047/ PubMed PMID: 25834901. 2: Berry CB, Bubser M, Jones CK, Hayes JP, Wepy JA, Locuson CW, Daniels JS, Lindsley CW, Hopkins CR. Discovery and Characterization of ML398, a Potent and Selective Antagonist of the D4 Receptor with in Vivo Activity. ACS Med Chem Lett. 2014 Jul 9;5(9):1060-4. doi: 10.1021/ml500267c. eCollection 2014 Sep 11. PubMed PMID: 25221667; PubMed Central PMCID: PMC4160761. 3: Luschini MA, Fletcher DJ, Schoeffler GL. Incidence of ionized hypocalcemia in septic dogs and its association with morbidity and mortality: 58 cases (2006-2007). J Vet Emerg Crit Care (San Antonio). 2010 Aug;20(4):406-12. doi: 10.1111/j.1476-4431.2010.00553.x. PubMed PMID: 20731806.