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Lopinavir

CAT: 0607-A8204-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8204-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HIV protease inhibitor,highly potent
CAS Number
192725-17-0
Product Name Alternative
(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
Sequence
Lopinavir
Field of Research
Microbiology & Virology HIV Proteases HIV Protease
Purity
0.998
Form
A solid
Solubility
≥31.45 mg/mL in DMSO; insoluble in H2O; ≥48.3 mg/mL in EtOH
Smiles
CC1=C(C(=CC=C1)C)OCC(=O)NC(CC2=CC=CC=C2)C(CC(CC3=CC=CC=C3)NC(=O)C(C(C)C)N4CCCNC4=O)O
Molecular Formula
C37H48N4O5
Molecular Weight
628.81
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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 Number192725-17-0
PubChem CID92727
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 FormulaC37H48N4O5
Molecular Weight628.8
XLogP5.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Heavy Atom Count46
Formal Charge0
Complexity940
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
2D structure of Lopinavir
CAS: 192725-17-0
CID: 92727
Formula: C37H48N4O5
MW: 628.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight628.8
XLogP35.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count15
Exact Mass628.36247064
Monoisotopic Mass628.36247064
Topological Polar Surface Area120 Ų
Heavy Atom Count46
Formal Charge0
Complexity940
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
281178-01Lopinavir

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