IBRIGAMPAR BESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H12Cl4N2O3S.C6H6O3S
Molecular Weight	672.384
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.ClC2=CC=C(C(Cl)=C2)S(=O)(=O)NC3=CC(Cl)=C(OC4=CC5=CC=CC=C5N=C4)C(Cl)=C3

InChI

InChIKey=ADMLKETZLUWHLX-UHFFFAOYSA-N

InChI=1S/C21H12Cl4N2O3S.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h1-11,27H;1-5H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula	C21H12Cl4N2O3S
Molecular Weight	514.209
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://web.archive.org/web/20171004070815/http://www.intekrin.com:80/programs-int131.html
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19337960

INT-131, a novel, non-thiazolidinedione (TZD), selective peroxisome proliferator-activated receptor (PPAR) gamma modulator and partial agonist, which was investigated in phase II of clinical trial for the treatment of type 2 diabetes mellitus (non-insulin dependent diabetes) and Multiple Sclerosis, Relapsing Remitting. The concept of selective modulation involves targeting and activating specific genes to minimize side effects while maintaining therapeutic benefits. In vitro, INT-131 attenuated adipogenic properties, indicating moderate PPAR gamma activation/cofactor recruitment compared with the full agonistic properties of TZD compounds.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Peroxisome proliferator-activated receptor gamma 111 Target ID: CHEMBL235 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23294830	Partial Agonist 290

Conditions

Condition	Modality	Targets	Highest Phase	Product
Type 2 diabetes mellitus 259 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19337960	Primary		Phase II 1132	Unknown Approved Use Unknown
Multiple sclerosis, relapsing remitting 2 Sources: https://clinicaltrials.gov/ct2/show/NCT02638038	Primary		Phase II 1132	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1587	inhibitor 1767	inhibitor 1852

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
P-gp 1461

Drug as perpetrator

Target	Modality	Activity
CYP2D6 1891	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363680393	inconclusive [IC50 21.3174 uM]
P-gp 1650	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363680393	inconclusive [IC50 29.0929 uM]
CYP3A4 1925	inhibitor 3277 Sources: https://pubmed.ncbi.nlm.nih.gov/23294830/	yes [IC50 25 uM]
CYP2C9 1819	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=363680393	yes [IC50 3.0112 uM]

Sourcing

Vendor/Aggregator	ID	URL
Axon MedChem	2019	https://www.axonmedchem.com/product/2019
ChemShuttle	139037	https://www.chemshuttle.com/catalogsearch/result/?q=139037
HongKong Chemhere	315224-26-1
MolPort	MolPort-042-665-800	https://www.molport.com/shop/molecule-link/MolPort-042-665-800
MuseChem	I002041	https://www.musechem.com/product/I002041.html
Nanjing Pope Bio-tech	NSTH-C016864
Norris Pharm	NSTH-C016864
Ryan Scientific	101-94008	https://ryansci.com/products?q=101-94008&list_q=&search_type=exact
eMolecules	46024421	https://orderbb.emolecules.com/search/#?query=46024421

PubMed

Title	Date	PubMed
		252160658

Patents

Sample Use Guides

In Vivo Use Guide

1.0 mg, Once daily

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:54:10 UTC 2023` Edited by `admin` on `Sat Dec 16 08:54:10 UTC 2023`
Record UNII	O591H1M24D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IBRIGAMPAR BESYLATE

Common Name

English

BENZENESULFONAMIDE, 2,4-DICHLORO-N-(3,5-DICHLORO-4-(3-QUINOLINYLOXY)PHENYL)-, MONOBENZENESULFONATE

Systematic Name

English

BENZENESULFONAMIDE, 2,4-DICHLORO-N-(3,5-DICHLORO-4-(3-QUINOLINYLOXY)PHENYL)-, BENZENESULFONATE (1:1)

Systematic Name

English

INT-131 BESYLATE

Code

English

CHS-131 BESYLATE

Code

English

T-0903131 Besylate

Common Name

English

2,4-DICHLORO-N-(3,5-DICHLORO-4-((QUINOLIN-3- YL)OXY)PHENYL)BENZENE-1-SULFONAMIDE BESYLATE

Common Name

English

T0903131 Besylate

Code

English

AMG-131 BESYLATE

Code

English

Code System Code Type Description

CAS

849738-78-9

Created by admin on Sat Dec 16 08:54:10 UTC 2023 , Edited by admin on Sat Dec 16 08:54:10 UTC 2023

PRIMARY

FDA UNII

O591H1M24D

Created by admin on Sat Dec 16 08:54:10 UTC 2023 , Edited by admin on Sat Dec 16 08:54:10 UTC 2023

PRIMARY

PUBCHEM

11204635

Created by admin on Sat Dec 16 08:54:10 UTC 2023 , Edited by admin on Sat Dec 16 08:54:10 UTC 2023

PRIMARY

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					E7ILQ6U50J

IBRIGAMPAR

PARENT -> SALT/SOLVATE

Amount:

Related Record Type Details


					E7ILQ6U50J

IBRIGAMPAR

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

DescriptionSources: https://web.archive.org/web/20171004070815/http://www.intekrin.com:80/programs-int131.htmlCurator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19337960

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Overview

OverviewOther

Drug as perpetrator​

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://web.archive.org/web/20171004070815/http://www.intekrin.com:80/programs-int131.html
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/19337960

Drug as perpetrator