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HCV-IN-3

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Category Hepatitis C Virus (HCV)
CAS 1401839-25-5
Description HCV-IN-3 is an inhibitor of hepatitis C virus (HCV) NS3/4a protein, with an IC50 of 20 μM and a Kd of 29 μM.
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Product Information

Synonyms 2,4-Difluoro-3-phenoxybenzenemethaneamine; Benzenemethanamine, 2,4-difluoro-3-phenoxy-; 1-(2,4-Difluoro-3-phenoxyphenyl)methanamine
IUPAC Name (2,4-difluoro-3-phenoxyphenyl)methanamine
Molecular Weight 235.23
Molecular Formula C13H11F2NO
Canonical SMILES C1=CC=C(C=C1)OC2=C(C=CC(=C2F)CN)F
InChI InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2
InChIKey OPHNCLQYKIKHON-UHFFFAOYSA-N
Boiling Point 279.9±40.0°C at 760 mmHg
Purity ≥95%
Density 1.2±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage Store at -20°C
Complexity 234
Exact Mass 235.08087030
Target IC50: 20 μM (HCVNS3), Kd: 29 μM (HCVNS3)
XLogP3-AA 2.5

Description of First Aid Measures

Eye contact

Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.

Skin contact

Rinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.

Inhalation

Immediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.

Ingestion

Wash out mouth with water; Do NOT induce vomiting; call a physician.

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