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ABT-072

CAT: 0931-T14086-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14086-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1132936-00-5
Target
Others, HCV Protease
Related Pathways
Others, Microbiology/Virology, Proteases/Proteasome
Bioactivity
ABT-072 is a nonnucleoside NS5B polymerase inhibitor and a candidate drug evaluated for treatment of hepatitis C virus.
Smiles
COc1c(\C=C\c2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O
Molecular Formula
C24H27N3O5S
Molecular Weight
469.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Abt-072

ABT-072 is under investigation in clinical trial NCT00890318 (A Study in Healthy Adult Subjects to Evaluate the Safety, Tolerability, and Pharmacokinetic Profiles of Multiple Doses of ABT-072 Used to Treat Hepatitis C).

CAS Number1132936-00-5
PubChem CID57775240
IUPAC NameN-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
Molecular FormulaC24H27N3O5S
Molecular Weight469.6
XLogP3.6
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity879
SMILES
CC(C)(C)C1=CC(=CC(=C1OC)/C=C/C2=CC=C(C=C2)NS(=O)(=O)C)N3C=CC(=O)NC3=O
InChI
InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+
InChIKey
XMZSTQYSBYEENY-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of Abt-072
CAS: 1132936-00-5
CID: 57775240
Formula: C24H27N3O5S
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass469.16714214
Monoisotopic Mass469.16714214
Topological Polar Surface Area113 Ų
Heavy Atom Count33
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-101634-01ABT-072
A20177-100ABT-072 100mg
A20177-50ABT-072 50mg
HY-101634RABT-072 (Standard)
A20177-10ABT-072 10mg
A20177-5ABT-072 5mg
A20177-25ABT-072 25mg
A20177-1ABT-072 1mg
HY-101634A-01ABT-072 (potassium trihydrate)
MBS5799148-01ABT-072 potassium trihydrate

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