Nesbuvir

CAT: 0931-TQ0090-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-TQ0090-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

691852-58-1

Target

HCV Protease

Related Pathways

Microbiology/Virology, Proteases/Proteasome

Purity

0.9999

Bioactivity

Nesbuvir is a selective hepatitis C virus (HCV) nonstructural protein 5B (NS5B) RNA-dependent polymerase inhibitor.Nesbuvir has an IC50 of 9 nM against hepatocellular carcinoma cells containing 1b HCV replicons.

Smiles

CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)C1CC1)-c1ccc(F)cc1

Molecular Formula

C22H23FN2O5S

Molecular Weight

446.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Nesbuvir

Nesbuvir has been investigated for the treatment of Hepatitis C.

CAS Number	691852-58-1
PubChem CID	11561383
IUPAC Name	5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
Molecular Formula	C22H23FN2O5S
Molecular Weight	446.5
XLogP	2.7
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	747

SMILES

CNC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(CCO)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)

InChIKey

WTDWVLJJJOTABN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 691852-58-1

CID: 11561383

Formula: C22H23FN2O5S

MW: 446.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	446.5
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	446.13117117
Monoisotopic Mass	446.13117117
Topological Polar Surface Area	108 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	747
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A11510-500	Nesbuvir 500mg
A11510-10	Nesbuvir 10mg
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Nesbuvir

Chemical Information

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