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 Fórmula: C₃₁H₃₃F₃N₂O₅S Peso molecular: 602.66 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Human immunodeficiency virus type 1 protease inhibitor

Pureza

≥98%

Propiedades del producto

ALogP

7

Nombres e identificadores

Pubchem Sid

504771360

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771360

Sonrisas canónicas

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

Isómeros 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

Peso molecular

602.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Diarylheptanoids
      • Subclass Linear diarylheptanoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Diarylheptanoids
• Subclass: Linear diarylheptanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Linear diarylheptanoids
• Alternative Parents: Sulfanilides Pyridinesulfonamides Phenylpropanes Dihydropyranones Organosulfonamides Aminosulfonyl compounds Vinylogous acids Enoate esters Heteroaromatic compounds Lactones Monocarboxylic acids and derivatives Enols Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Linear 1,7-diphenylheptane skeleton - Pyridine-2-sulfonamide - Sulfanilide - Phenylpropane - Dihydropyranone - Monocyclic benzene moiety - Pyran - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Enol - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organofluoride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
• External Descriptors: sulfonamide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO; Ethanol : ≥ 50 mg/mL (82.97 mM)
• Peso molecular: 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