AVE-0118

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H29N3O3
Molecular Weight	479.5696
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCCC4=CC=CN=C4)C=C1

InChI

InChIKey=CHDSRMIDIQABTP-UHFFFAOYSA-N

InChI=1S/C30H29N3O3/c1-36-25-14-12-22(13-15-25)19-29(34)33-21-24-8-2-3-9-26(24)27-10-4-5-11-28(27)30(35)32-18-16-23-7-6-17-31-20-23/h2-15,17,20H,16,18-19,21H2,1H3,(H,32,35)(H,33,34)

HIDE SMILES / InChI

Molecular Formula	C30H29N3O3
Molecular Weight	479.5696
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16835355 | http://en.sanofi.com/Images/16151_AR_2005_EN.pdf

AVE-0118 is a Kv1.5 blocker which was developed by Aventis Pharma for the treatment of cardiovascular diseases. The drug reached phase II of clinical trilas in patients with atrial fibrillation, however its development was terminated.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Voltage-gated potassium channel subunit Kv1.5 37 Target ID: CHEMBL4306 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16835355	Blocker 537		5.6 µM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Atrial fibrillation 131 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17157284	Primary		Phase II 1132	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
Axon MedChem	2243	https://www.axonmedchem.com/product/2243
MolPort	MolPort-042-665-842	https://www.molport.com/shop/molecule-link/MolPort-042-665-842
Molnova	M14669	https://www.molnova.com/en/serch-list.html?keywords=M14669
MuseChem	I003302	https://www.musechem.com/product/I003302.html
Ryan Scientific	101-94199	https://ryansci.com/products?q=101-94199&list_q=&search_type=exact
eMolecules	49435328	https://orderbb.emolecules.com/search/#?query=49435328

PubMed

Title	Date	PubMed
Binding site of a novel Kv1.5 blocker: a "foot in the door" against atrial fibrillation.	2006 Oct	16835355
Blockade of atrial-specific K+-currents increases atrial but not ventricular contractility by enhancing reverse mode Na+/Ca2+-exchange.	2007 Jan 1	17157284

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

The acutely dilated rabbit atria was treated with 0.3-10 microM AVE-0118. AVE-0118 concentration-dependently increased the atrial effective refractory period reduced the atrial fibrillation inducibility.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:01:37 GMT 2023` Edited by `admin` on `Sat Dec 16 00:01:37 GMT 2023`
Record UNII	Q1B712V03A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AVE-0118

Common Name

English

2'-((2-(4-METHOXYPHENYL)ACETYLAMINO)METHYL)BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)AMIDE

Systematic Name

English

(1,1'-BIPHENYL)-2-CARBOXAMIDE, 2'-(((2-(4-METHOXYPHENYL)ACETYL)AMINO)METHYL)-N-(2-(3-PYRIDINYL)ETHYL)-

Systematic Name

English

(1,1'-BIPHENYL)-2-CARBOXAMIDE, 2'-((((4-METHOXYPHENYL)ACETYL)AMINO)METHYL)-N-(2-(3-PYRIDINYL)ETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

498577-53-0

Created by admin on Sat Dec 16 00:01:37 GMT 2023 , Edited by admin on Sat Dec 16 00:01:37 GMT 2023

PRIMARY

SMS_ID

300000042432

Created by admin on Sat Dec 16 00:01:37 GMT 2023 , Edited by admin on Sat Dec 16 00:01:37 GMT 2023

PRIMARY

PUBCHEM

9811357

Created by admin on Sat Dec 16 00:01:37 GMT 2023 , Edited by admin on Sat Dec 16 00:01:37 GMT 2023

PRIMARY

FDA UNII

Q1B712V03A

Created by admin on Sat Dec 16 00:01:37 GMT 2023 , Edited by admin on Sat Dec 16 00:01:37 GMT 2023

PRIMARY

Related Record Type Details


					Q1B712V03A

AVE-0118

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/16835355 | http://en.sanofi.com/Images/16151_AR_2005_EN.pdf

Originator

Approval Year

Targets

Conditions

Approved Use

Sourcing

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16835355 | http://en.sanofi.com/Images/16151_AR_2005_EN.pdf