Z12

2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide

Created:	2009-01-20
Last modified:	2011-06-04

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1 entries where Z12 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	23

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Chemical Component Summary
Name	2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxy-phenyl)benzenesulfonamide
Formula	C₂₁ H₁₂ Cl₄ N₂ O₃ S
Molecular Weight	514.209
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4
SMILES	CACTVS	3.341	Clc1ccc(c(Cl)c1)[S](=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(c(Cl)c1)[S](=O)(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
InChIKey	InChI	1.03	NMRWDFUZLLQSBN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB05490
Name	AMG-131
Groups	investigational
Description	AMG-131 (T131), an orally-administered therapy, is expected to lower blood glucose in type II diabetic patients by improving the body’s ability to respond to insulin. T131 is a selective modulator of PPARg (peroxisome proliferator activated receptor gamma), a receptor involved in regulating the body’s ability to respond to insulin. T131 is not structurally related to the thiazolidinedione class of PPARg agonists, which includes Actos and Avandia.
Synonyms	AMG-131
Indication	Investigated for use/treatment in diabetes mellitus type 2.
Categories	Amides Heterocyclic Compounds, Fused-Ring PPAR gamma, agonists Sulfones Sulfur Compounds
CAS number	315224-26-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Peroxisome proliferator-activated receptor gamma	MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL...	unknown	partial agonist

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682