Lopinavir

CAT: 0013-GTR19162926-01Size: 1 gDry Ice: NoHazardous: No

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Description

Lopinavir (also known as ABT-378) is a highly potent inhibitor of human immunodeficiency virus (HIV) protease that potently inhibits wild-type and mutant HIV protease. (In Vitro) :HIV-1 protease is an essential enzyme for production of mature, infective virus.Lopinavir potently inhibits wild-type and mutant HIV protease (Ki= 1.3 to 3.6 pM), blocks the replication of laboratory and clinical strains of HIV type 1 (EC50=0.006 to 0.017 μM), and maintains high potency against mutant HIV selected by Ritonavir in vivo (EC50=≤0.06 μM) . (In Vivo) :Coadministration with low-dose Ritonavir significantly improves the pharmacokinetic properties and hence the activity of Lopinavir against HIV-1 protease.

CAS Number

192725-17-0

Product Name Alternative

A-157378.0 | ABT-378

Field of Research

Pharmacology & Drug Discovery

Purity

>98% (HPLC)

Solubility

Ethanol: 126 mg/mL (200.38 mM) ; DMSO: 126 mg/mL (200.38 mM)

Smiles

CC1=C (C (=CC=C1) C) OCC (=O) N[C@@H] (CC2=CC=CC=C2) [C@H] (C[C@H] (CC3=CC=CC=C3) NC (=O) [C@H] (C (C) C) N4CCCNC4=O) O

Molecular Formula

C37H48N4O5

Molecular Weight

628.8

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Other Product Names

(2S) -N-[ (2S,4S,5S) -5-[[2- (2,6-dimethylphenoxy) acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2- (2-oxo-1,3-diazinan-1-yl) butanamide

Chemical Information

Lopinavir

Lopinavir is a dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir. It has a role as an anticoronaviral agent, a HIV protease inhibitor and an antiviral drug. It is a member of amphetamines and a dicarboxylic acid diamide.

CAS Number	192725-17-0
PubChem CID	92727
IUPAC Name	(2S)-N-[(2S,4S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
Molecular Formula	C37H48N4O5
Molecular Weight	628.8
XLogP	5.9
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Heavy Atom Count	46
Formal Charge	0
Complexity	940

SMILES

CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O

InChI

InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

InChIKey

KJHKTHWMRKYKJE-SUGCFTRWSA-N

Chemical Structure

2D Structure

CAS: 192725-17-0

CID: 92727

Formula: C37H48N4O5

MW: 628.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	628.8
XLogP3	5.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	628.36247064
Monoisotopic Mass	628.36247064
Topological Polar Surface Area	120 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	940
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
281178-01	Lopinavir

Lopinavir

Chemical Information

Alternative Products

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