Home > Products > Materials Science P31 > Chirabite-AR

Chirabite-AR

Catalog Number: EVT-399453

CAS Number: 909254-56-4

Molecular Formula: C42H29N7O8

Molecular Weight: 759.7 g/mol

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Product Introduction

Description

Chirabite-AR is a chemical compound that has gained significant attention in recent years due to its potential therapeutic and environmental applications. It is a synthetic molecule that belongs to the class of aryl hydrocarbon receptor (AhR) agonists. AhR is a transcription factor that plays a crucial role in regulating various biological processes, including cell differentiation, immune response, and xenobiotic metabolism. Chirabite-AR has been shown to activate AhR and modulate its downstream signaling pathways, leading to a range of biological effects.

Properties

CAS Number

909254-56-4

Product Name

Chirabite-AR

IUPAC Name

6-nitro-19,40-dioxa-2,10,16,43,48,49-hexazaoctacyclo[42.3.1.14,8.111,15.020,29.023,28.030,39.031,36]pentaconta-1(47),4(50),5,7,11,13,15(49),20(29),21,23,25,27,30(39),31,33,35,37,44(48),45-nonadecaene-3,9,17,42-tetrone

Molecular Formula

C42H29N7O8

Molecular Weight

759.7 g/mol

InChI

InChI=1S/C42H29N7O8/c50-37-22-56-31-17-15-24-7-1-3-9-29(24)39(31)40-30-10-4-2-8-25(30)16-18-32(40)57-23-38(51)46-34-12-6-14-36(44-34)48-42(53)27-19-26(20-28(21-27)49(54)55)41(52)47-35-13-5-11-33(43-35)45-37/h1-21H,22-23H2,(H2,43,45,47,50,52)(H2,44,46,48,51,53)

InChI Key

AFQYUGXRHMUXOZ-UHFFFAOYSA-N

SMILES

C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=N4)NC(=O)COC5=C(C6=CC=CC=C6C=C5)C7=C(O1)C=CC8=CC=CC=C87

Canonical SMILES

C1C(=O)NC2=NC(=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC(=N4)NC(=O)COC5=C(C6=CC=CC=C6C=C5)C7=C(O1)C=CC8=CC=CC=C87

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