Uprifosbuvir

CAT: 0804-HY-103487-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-103487-01Size:5 mg

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Description

Uprifosbuvir is an antiviral agent. Uprifosbuvir is a NS5b inhibitor developed for the research of chronic hepatitis C virus[1].

CAS Number

1496551-77-9

Product Name Alternative

IDX21437; MK-3682

UNSPSC

12352005

Target

HCV

Type

Reference compound

Related Pathways

Anti-infection

Applications

COVID-19-anti-virus

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/uprifosbuvir.html

Purity

99.20

Solubility

DMSO : 250 mg/mL (ultrasonic)

Smiles

C[C@]([C@@](N(C=CC1=O)C(N1)=O)([H])O[C@@H]2CO[P@@](OC3=CC=CC=C3)(N[C@H](C)C(OC(C)C)=O)=O)([C@@H]2O)Cl

Molecular Formula

C22H29ClN3O9P

Molecular Weight

545.91

References & Citations

[1]Klapars A, et al. Efficient synthesis of antiviral agent uprifosbuvir enabled by new synthetic methods. Chem Sci. 2021;12 (26) :9031-9036.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 2

Chemical Information

Uprifosbuvir

Uprifosbuvir is under investigation in clinical trial NCT02332707 (Efficacy and Safety of Grazoprevir (MK-5172) and Uprifosbuvir (MK-3682) With Elbasvir (MK-8742) or Ruzasvir (MK-8408) for Chronic Hepatitis C Genotype (GT)1 and GT2 Infection (MK-3682-011)).

CAS Number	1496551-77-9
PubChem CID	90055716
IUPAC Name	propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Formula	C22H29ClN3O9P
Molecular Weight	545.9
XLogP	1.2
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Heavy Atom Count	36
Formal Charge	0
Complexity	913

SMILES

C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1

InChIKey

SFPFZQKYPOWCSI-KHFYHRBSSA-N

Chemical Structure

2D Structure

CAS: 1496551-77-9

CID: 90055716

Formula: C22H29ClN3O9P

MW: 545.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	545.9
XLogP3	1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	11
Exact Mass	545.1329942
Monoisotopic Mass	545.1329942
Topological Polar Surface Area	153 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	913
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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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BUP08280-01	Uprifosbuvir

Uprifosbuvir

Chemical Information

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