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

MedKoo CAT#: 556205

CAS#: 1666119-75-0

Description: NSC321039, also known as hMAO-B-IN-4, is a selective, reversible and blood–brain barrier (BBB) penetrable human monoamine oxidase-B (hMAO-B) inhibitor with an IC50 value of 0.067 μM. This compound was reported in Scientific Reports (2022), 12(1), 22404 NSC321039 was reversible inhibitor of hMAO-B. PAMPA assay manifested that NSC321039 had a significant permeability and CNS bioavailability with Pe value higher than 4.0 x 10-6 cm/s. NSC321039 was stabilized in protein-ligand complexes by the π-π stacking, which enabled them to bind to the hMAO-B enzyme′s active site incredibly effectively.

Chemical Structure

CAS# 1666119-75-0

Theoretical Analysis

MedKoo Cat#: 556205
Name: NSC321039
CAS#: 1666119-75-0
Chemical Formula: C20H16O2S
Exact Mass: 320.0871
Molecular Weight: 320.41
Elemental Analysis: C, 74.97; H, 5.03; O, 9.99; S, 10.01

Price and Availability

Size Price Availability Quantity
50.0mg USD 750.0 2 Weeks
100.0mg USD 1350.0 2 Weeks
200.0mg USD 2350.0 2 Weeks
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Synonym: NSC321039; NSC-321039; NSC 321039; hMAO-B-IN-4;

IUPAC/Chemical Name: 2-Propen-1-one, 3-[4-(phenylmethoxy)phenyl]-1-(2-thienyl)-, (2E)-


InChi Code: InChI=1S/C20H16O2S/c21-19(20-7-4-14-23-20)13-10-16-8-11-18(12-9-16)22-15-17-5-2-1-3-6-17/h1-14H,15H2/b13-10+


Appearance: To be determined

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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 320.41 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. Sudevan ST, Oh JM, Abdelgawad MA, Abourehab MAS, Rangarajan TM, Kumar S, Ahmad I, Patel H, Kim H, Mathew B. Introduction of benzyloxy pharmacophore into aryl/heteroaryl chalcone motifs as a new class of monoamine oxidase B inhibitors. Sci Rep. 2022 Dec 27;12(1):22404. doi: 10.1038/s41598-022-26929-x. PMID: 36575270; PMCID: PMC9794710.