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 分子式: C₃₁H₃₃F₃N₂O₅S 分子量: 602.66 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Human immunodeficiency virus type 1 protease inhibitor

純度

≥98%

製品の性質

ALogP

7

名前と識別子

パブケム・シド

504771360

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体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

分子量

602.66

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in DMSO; Ethanol : ≥ 50 mg/mL (82.97 mM)
• 分子量: 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