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PTC725

CAT: 0013-GTR19199751-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199751-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PTC725 is a small molecule inhibitor that selectively targets the nonstructural protein 4B (NS4B) of the hepatitis C virus genotype 1b. It is a research tool used in vitro to study HCV replication mechanisms and the role of NS4B in the viral life cycle.
CAS Number
1248581-07-8
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
C (#N) C1=C (N (C=2C1=CC (F) =C (CC) C2) C=3N=CC=CN3) C4=CC=C (S (N[C@H] (C (F) (F) F) C) (=O) =O) C=N4
Molecular Formula
C23H18F4N6O2S
Molecular Weight
518.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CAS Number1248581-07-8
PubChem CID66731056
IUPAC Name6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
Molecular FormulaC23H18F4N6O2S
Molecular Weight518.5
XLogP4
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity916
SMILES
CCC1=CC2=C(C=C1F)C(=C(N2C3=NC=CC=N3)C4=NC=C(C=C4)S(=O)(=O)N[C@@H](C)C(F)(F)F)C#N
InChI
InChI=1S/C23H18F4N6O2S/c1-3-14-9-20-16(10-18(14)24)17(11-28)21(33(20)22-29-7-4-8-30-22)19-6-5-15(12-31-19)36(34,35)32-13(2)23(25,26)27/h4-10,12-13,32H,3H2,1-2H3/t13-/m0/s1
InChIKey
OBULGMCFXOTNNK-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (S)-6-(3-cyano-6-ethyl-5-fluoro-1-(pyrimidin-2-yl)-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
CAS: 1248581-07-8
CID: 66731056
Formula: C23H18F4N6O2S
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass518.11480766
Monoisotopic Mass518.11480766
Topological Polar Surface Area122 Ų
Heavy Atom Count36
Formal Charge0
Complexity916
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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