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Details

Stereochemistry ACHIRAL
Molecular Formula C15H29N3O2
Molecular Weight 283.4097
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ENMD-1068

SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN

InChI

InChIKey=VRZYMMVEALDDBH-UHFFFAOYSA-N
InChI=1S/C15H29N3O2/c1-13(2)12-15(20)18-10-8-17(9-11-18)14(19)6-4-3-5-7-16/h13H,3-12,16H2,1-2H3

HIDE SMILES / InChI
Molecular Formula C15H29N3O2
Molecular Weight 283.4097
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

ENMD-1068 is an antagonist of Protease-activated receptor 2 (PAR-2). The drug demonstrated anti-inflammatory activity in vivo on the models of arthritis, endometriosis and liver fibrosis.

Originator

Approval Year

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2778
 1.2 mM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
Primary
Preclinical
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Expression and proinflammatory role of proteinase-activated receptor 2 in rheumatoid synovium: ex vivo studies using a novel proteinase-activated receptor 2 antagonist.
2007 Mar
Patents

Patents

WO2006023844 A2
1

Sample Use Guides

In Vivo Use Guide
In a preclinical testing (arthritis model), ENMD-1068 was given intraperitoneally at doses of 1 and 4 mg to wild-type mice. In the preclinical model of liver fibrosis and endometriosis, mice were injected intraperitoneally with either 25 mg/kg or 50 mg/kg ENMD-1068.
Route of Administration: Intraperitoneal
In Vitro Use Guide
Murine Lewis lung carcinoma cells were incubated with increasing concentrations of ENMD-1068 for 30-40 min and then stimulated with 200 uM SLIGKV-NH2. ENMD-1068 dose-dependently inhibited calcium signaling, this being complete at 5 mM.
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:32 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:32 GMT 2023
Record UNII
STV44CBK1W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ENMD-1068
Common Name English
1-HEXANONE, 6-AMINO-1-(4-(3-METHYL-1-OXOBUTYL)-1-PIPERAZINYL)-
Systematic Name English
PIPERAZINE, 1-(6-AMINO-1-OXOHEXYL)-4-(3-METHYL-1-OXOBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
789488-77-3
Created by admin on Sat Dec 16 08:28:32 GMT 2023 , Edited by admin on Sat Dec 16 08:28:32 GMT 2023
PRIMARY
PUBCHEM
9950925
Created by admin on Sat Dec 16 08:28:32 GMT 2023 , Edited by admin on Sat Dec 16 08:28:32 GMT 2023
PRIMARY
FDA UNII
STV44CBK1W
Created by admin on Sat Dec 16 08:28:32 GMT 2023 , Edited by admin on Sat Dec 16 08:28:32 GMT 2023
PRIMARY
Related Record Type Details
Structure of ENMD-1068
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