ChemicalBook--->CAS DataBase List--->789488-77-3

789488-77-3

789488-77-3 Structure

789488-77-3 Structure
IdentificationBack Directory
[Name]

6-Amino-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-hexanone hydrochloride
[CAS]

789488-77-3
[Synonyms]

ENMD-1068
ENMD-1068 (ENMD1068)
ENMD-1068 hydrochloride
6-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
6-Amino-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-hexanone hydrochloride
[Molecular Formula]

C15H29N3O2
[MDL Number]

MFCD16817498
[MOL File]

789488-77-3.mol
[Molecular Weight]

283.41
Chemical PropertiesBack Directory
[Boiling point ]

478.7±40.0 °C(Predicted)
[density ]

1.047±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

H2O: soluble25mg/mL, clear
[form ]

powder
[pka]

10.57±0.10(Predicted)
[color ]

white to beige
[Water Solubility ]

Water: 25 mg/mL,clear
[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
[InChIKey]

VRZYMMVEALDDBH-UHFFFAOYSA-N
[SMILES]

N1(CCN(CC1)C(=O)CCCCCN)C(=O)CC(C)C
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

46
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

ENMD-1068 hydrochloride has been used as a protease-activated receptor 2 (PAR2) antagonist to determine the pathway responsible for paw edema induced by Crotalus durissus terrificus venom serine protease (Cdtsp 2).
[Biochem/physiol Actions]

ENMD-1068 is an antagonist of protease-activated receptor 2 (PAR2). The compound blocks TNFα production in synovial explants from patients with arthritis, and inhibits mast cell tryptase-induced recruitment of eosinophils into the pleural cavity of mice.
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