Tipranavir - ≥98% , Human immunodeficiency virus type 1 protease inhibitor, CAS No.174484-41-4, Human immunodeficiency virus type 1 protease inhibitor

CAS: 174484-41-4 Cat. No.: T125018 Molecular Weight: 602.66 EC Number: 629-839-6 PubChem CID: 54682461

GRADE & PURITY ≥98%

Synonyms

HSDB 8083 | N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide | TIPRANAVIR [MART.] | N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tipranavir (PNU-140690) inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-protease inhibitor (PI)-resistant HIV-1 isolates with IC50s of 66-410 nM.

Specifications

Synonyms

HSDB 8083 | N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5, 6-dihydro-2H-pyran-3-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide | TIPRANAVIR [MART.] | N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-phenethyl-2-propyl-3H-pyran-5-yl]propy

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tipranavir, a Nonpeptidic HIV protease inhibitor (NPPI), inhibits the enzymatic activity and dimerization of HIV-1 protease, exerts potent activity against multi-PI-resistant HIV-1 isolates. Antiviral and Anti-HIV agents.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Human immunodeficiency virus type 1 protease inhibitor

Purity

≥98%

Product Properties

• ALogP: 7

Names and Identifiers

• Pubchem Sid: 504771360
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771360
• Canonical Smiles: CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
• IUPAC Name: N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
• InChIKey: SUJUHGSWHZTSEU-FYBSXPHGSA-N
• INCHI: 1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
• Isomeric SMILES: CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
• PubChem CID: 54682461
• Molecular Weight: 602.66

Chemical and Physical Properties

• Solubility: Soluble in DMSO; Ethanol : ≥ 50 mg/mL (82.97 mM)
• Molecular Weight: 602.700 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 602.206 Da
• Monoisotopic Mass: 602.206 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1050.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1