ML398 HCl salt

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

MedKoo CAT#: 522496

CAS#: 1379510-21-0

Description: 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

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ML398 HCl salt
CAS# 1379510-21-0

Theoretical Analysis

MedKoo Cat#: 522496
Name: ML398 HCl salt
CAS#: 1379510-21-0
Chemical Formula: C20H24ClN3O
Exact Mass:
Molecular Weight: 357.882
Elemental Analysis: C, 67.12; H, 6.76; Cl, 9.91; N, 11.74; O, 4.47

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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

Preparing Stock Solutions

The following data is based on the product molecular weight 357.882 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: 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.