Ritonavir

CAT: 0013-GTR19175314-01Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19175314-01Size:20 mg

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Description

Ritonavir (ABT-538) is a peptidomimetic inhibitor of HIV-1 and HIV-2 proteases. While its own antiviral activity is limited by serum protein binding, it is widely used in research, both in vitro and in vivo, as a potent cytochrome P450 inhibitor to pharmacokinetically boost other protease inhibitors.

CAS Number

155213-67-5

Product Name Alternative

ABT538, ABT-538, ABT 538, Abbott 84538, A 84538, A84538, A-84538, Apoptosis, HIVProtease, HIV Protease, HIV, Human immunodeficiency virus, Inhibitor, inhibit, Ritonavir, RTV, SARS-CoV, SARSCoV, SARS coronavirus

Field of Research

Cell Biology, Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry

Purity

>98%

Bioactivity

HIV1/2 protease inhibitor

Form

Powder

Solubility

Soluble in DMSO (12 mg/ml with warming) or in ethanol (5mg/ml)

Smiles

CC (C) [C@H] (NC (=O) N (C) CC1=CSC (=N1) C (C) C) C (=O) N[C@H] (C[C@H] (O) [C@H] (CC1=CC=CC=C1) NC (=O) OCC1=CN=CS1) CC1=CC=CC=C1

Molecular Formula

C37H48N6O5S2

Molecular Weight

720.9

Storage Conditions

-20°C

Notes

For research use only.

Other Product Names

1,3-Thiazol-5-ylmethyl N-[ (2S,3S,5S) -3-hydroxy-5-[[ (2S) -3-methyl-2-[[methyl-2-[ (2-propan-2-yl-1,3-thiazol-4-yl) methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Chemical Information

Ritonavir

Ritonavir is an L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. It has a role as a HIV protease inhibitor, a xenobiotic, an antiviral drug and an environmental contaminant. It is a carbamate ester, a carboxamide, a member of 1,3-thiazoles, a member of ureas and a L-valine derivative.

CAS Number	155213-67-5
PubChem CID	392622
IUPAC Name	1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Molecular Formula	C37H48N6O5S2
Molecular Weight	720.9
XLogP	6
Topological Polar Surface Area	202
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	18
Heavy Atom Count	50
Formal Charge	0
Complexity	1040

SMILES

CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

InChIKey

NCDNCNXCDXHOMX-XGKFQTDJSA-N

Chemical Structure

2D Structure

CAS: 155213-67-5

CID: 392622

Formula: C37H48N6O5S2

MW: 720.9

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	720.9
XLogP3	6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	18
Exact Mass	720.31276100
Monoisotopic Mass	720.31276100
Topological Polar Surface Area	202 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A8203-5.1	Ritonavir

Ritonavir

Chemical Information

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