183483-15-0

Basic information

• Product Name: 4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester
• Synonyms: 3-Hydroxy Loratadine;4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester;Loratadine 3-Hydroxy IMpurity;8-Chloro-3-hydroxy-6,11-dihydro-11-[N-ethoxycarbonyl-4-piperidylidene]-5H-benzo[5,6] cyclohepta[1,2-b]pyridine;Loratadine Impurity 3
• CAS NO: 183483-15-0
• Molecular Formula: C22H23ClN2O3
• Molecular Weight: 398.88
• Product Categories: Aromatics;Heterocycles
• Mol File: 183483-15-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 138-152?C
• Appearance: /
• Refractive Index: 1.632
• Storage Temp.: -20°C Freezer
• Solubility: DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester(183483-15-0)
• EPA Substance Registry System: 4-(8-Chloro-5,6-dihydro-3-hydroxy-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinecarboxylic Acid Ethyl Ester(183483-15-0)

Safety Data

• Hazardous Substances Data: 183483-15-0(Hazardous Substances Data)

Usage

Chemical Properties

Brown Solid

Uses

Different sources of media describe the Uses of 183483-15-0 differently. You can refer to the following data:
1. An intermediate for the preparation of 3-Hydroxy Desloratadine
2. An intermediate for the preparation of 3-Hydroxy Desloratadine.

InChI:InChI=1/C22H23ClN2O3/c1-2-28-22(27)25-9-7-14(8-10-25)20-19-6-5-17(23)11-15(19)3-4-16-12-18(26)13-24-21(16)20/h5-6,11-13,26H,2-4,7-10H2,1H3

Upstream product

• 79794-75-5 loratadine 

Relevant articles and documents

Late-Stage Lead Diversification Coupled with Quantitative Nuclear Magnetic Resonance Spectroscopy to Identify New Structure-Activity Relationship Vectors at Nanomole-Scale Synthesis: Application to Loratadine, a Human Histamine H1Receptor Inverse Agonist

An experimental approach is described for late-stage lead diversification of frontrunner drug candidates using nanomole-scale amounts of lead compounds for structure-activity relationship development. The process utilizes C-H bond activation methods to explore chemical space by transforming candidates into newly functionalized leads. A key to success is the utilization of microcryoprobe nuclear magnetic resonance (NMR) spectroscopy, which permits the use of low amounts of lead compounds (1-5 μmol). The approach delivers multiple analogues from a single lead at nanomole-scale amounts as DMSO-d6 stock solutions with a known structure and concentration for in vitro pharmacology and absorption, distribution, metabolism, and excretion testing. To demonstrate the feasibility of this approach, we have used the antihistamine agent loratadine (1). Twenty-six analogues of loratadine were isolated and fully characterized by NMR. Informative SAR analogues were identified, which display potent affinity for the human histamine H1 receptor and improved metabolic stability.