ChemicalBook--->CAS DataBase List--->452967-14-5

452967-14-5

452967-14-5 Structure

452967-14-5 Structure
IdentificationBack Directory
[Name]

IR-415)
[CAS]

452967-14-5
[Synonyms]

IR-415)
IR415 (IR 415
IR415 >=98% (HPLC)
1-[3-(1-Imidazolyl)propyl]-3-(2,4-difluorophenyl)thiourea
[Molecular Formula]

C13H14F2N4S
[MDL Number]

MFCD00238878
[MOL File]

452967-14-5.mol
[Molecular Weight]

296.34
Chemical PropertiesBack Directory
[Boiling point ]

439.6±55.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 125 mg/mL (421.81 mM)
[form ]

Solid
[pka]

11?+-.0.70(Predicted)
[color ]

White to off-white
[InChI]

1S/C13H14F2N4S/c14-10-2-3-12(11(15)8-10)18-13(20)17-4-1-6-19-7-5-16-9-19/h2-3,5,7-9H,1,4,6H2,(H2,17,18,20)
[InChIKey]

KRSBPLFMLHNMPU-UHFFFAOYSA-N
[SMILES]

S=C(NC1=C(F)C=C(F)C=C1)NCCCN2C=NC=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

IR415 is a potent anti-HBV agent and inhibits HBV replication by blocking the HBx activity. IR415 selectively interacts with HBx (Kd=2 nM) and blocks HBV-mediated RNAi suppression, reverses the inhibitory effect of HBx protein on the activity of the dicer endoribonuclease[1]. HBx: hepatitis B virus X protein.
[Biological Activity]

HBx is a viral suppressor of host defenses consisting of RNAi-based silencing of viral genes. It is important for HBV replication and also functions as an RNAi suppressor protein. HBx is considered as emerging target for anti-viral therapy.''selective inhibitor of Hepatitis B Virus X Protein (HBx)
[References]

[1] Ghosh S, et al. An?RNAi-based?high-throughput?screening?assay?to?identify?small?molecule?inhibitors?of?hepatitis?B?virus?replication.J Biol Chem.?2017 Jul 28;292(30):12577-12588. DOI:10.1074/jbc.M117.775155
Spectrum DetailBack Directory
[Spectrum Detail]

IR-415)(452967-14-5)1HNMR
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452967-14-5 25316-40-9 123-03-5 142217-69-4 98-92-0 2563929-84-8