MedKoo Cat#: 130002 | Name: MAO-A/5-HT2AR Inhibitor I14

Description:

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

MAO-A/5-HT2AR Inhibitor I14 is a dual MAO-A and 5-HT2AR inhibitor with improved antidepressant activity. The MAO-A/5-HT2AR Inhibitor I14 has been found to be able to occupy the active cavity of 5-HT2AR and MAO-A with multiple hydrogen bonding forces and π–π stacking interaction. It has also led to a reduction in the expression of 5-HT2AR in the brain tissue of mice through the promotion of interstitial 5-HT levels, which ultimately increases the efficiency of the antidepressant effect.

Chemical Structure

MAO-A/5-HT2AR Inhibitor I14
MAO-A/5-HT2AR Inhibitor I14
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130002

Name: MAO-A/5-HT2AR Inhibitor I14

CAS#: N/A

Chemical Formula: C31H30FN3O2

Exact Mass: 495.2322

Molecular Weight: 495.60

Elemental Analysis: C, 75.13; H, 6.10; F, 3.83; N, 8.48; O, 6.46

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 #
No Data
Synonym
MAO-A/5-HT2AR Inhibitor I14; MAO-A/5-HT2AR Inhibitor-I14; MAO-A/5-HT2AR InhibitorI14; MAO-A/5-HT2AR-IN-I14;
IUPAC/Chemical Name
5-((5-(4-(2-Fluorophenyl)piperazin-1-yl)pentyl)oxy)-7H-dibenzo[de,h]quinolin-7-one
InChi Key
QMLRYAOQDOORLC-UHFFFAOYSA-N
InChi Code
InChI=1S/C31H30FN3O2/c32-27-10-4-5-11-28(27)35-17-15-34(16-18-35)14-6-1-7-19-37-23-20-22-12-13-33-30-24-8-2-3-9-25(24)31(36)26(21-23)29(22)30/h2-5,8-13,20-21H,1,6-7,14-19H2
SMILES Code
O=C(C1=CC=CC=C12)C3=CC(OCCCCCN4CCN(C5=CC=CC=C5F)CC4)=CC6=CC=NC2=C63
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 495.60 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
Sun X, Li N, Zhong P, Chen L, Sun J. Development of MAO-A and 5-HT2AR Dual Inhibitors with Improved Antidepressant Activity. J Med Chem. 2022 Oct 13;65(19):13385-13400. doi: 10.1021/acs.jmedchem.2c01271. Epub 2022 Sep 29. PMID: 36173886.