HIV-1 protease-IN-8

CAT: 0013-GTR19218831-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19218831-01Size:25 mg

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Description

HIV-1 protease-IN-8 (compound 34b) is a highly potent HIV-1 protease inhibitor with an IC50 of 0.32 nM. It shows robust antiviral activity against both wild-type (IC50=0.29 μM, HIV-1 NL4-3) and multidrug-resistant (IC50=1.90 μM, HIV-1 MDR) viral strains, making it a valuable tool for in vitro antiviral mechanism and resistance studies.

CAS Number

2925287-55-2

Field of Research

Infectious Disease & Virology, Protein Biochemistry

Smiles

N (S (=O) (=O) C1=CC=C (O) C=C1) (C[C@H] ([C@H] (CC2=CC=CC=C2) NC (=O) [C@@H]3CCNC3) O) CC (C) C

Molecular Formula

C25H35N3O5S

Molecular Weight

489.63

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

HIV-1 protease-IN-8

CAS Number	2925287-55-2
PubChem CID	168355487
IUPAC Name	(3R)-N-[(2S,3R)-3-hydroxy-4-[(4-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]pyrrolidine-3-carboxamide
Molecular Formula	C25H35N3O5S
Molecular Weight	489.6
XLogP	2.4
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	34
Formal Charge	0
Complexity	727

SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCNC2)O)S(=O)(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C25H35N3O5S/c1-18(2)16-28(34(32,33)22-10-8-21(29)9-11-22)17-24(30)23(14-19-6-4-3-5-7-19)27-25(31)20-12-13-26-15-20/h3-11,18,20,23-24,26,29-30H,12-17H2,1-2H3,(H,27,31)/t20-,23+,24-/m1/s1

InChIKey

IBZXXQSXINCLJJ-FGCOXFRFSA-N

Chemical Structure

2D Structure

CAS: 2925287-55-2

CID: 168355487

Formula: C25H35N3O5S

MW: 489.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	489.6
XLogP3	2.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	489.22974240
Monoisotopic Mass	489.22974240
Topological Polar Surface Area	127 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	727
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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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HIV-1 protease-IN-8

Chemical Information

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