Trovirdine - ≥98% , CAS No.149488-17-5

CAS: 149488-17-5 Cat. No.: T412266 Summenformel: C₁₃H₁₃BrN₄S Molekulargewicht: 337.24 PubChem CID: 3000870

QUALITÄT & REINHEIT ≥98%

Synonyms

LY300046 | Aids028593

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Trovirdine (LY300046, Aids028593) is an inhibitor of HIV-1 RT with IC50 of 7 nM when employing heteropolymeric primer/template (oligo-DNA/ribosomal RNA)and dGTP as substrate.

Spezifikationen

Synonyme

LY300046 | Aids028593

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Trovirdine (LY300046, Aids028593) is an inhibitor of HIV-1 RT with IC50 of 7 nM when employing heteropolymeric primer/template (oligo-DNA/ribosomal RNA)and dGTP as substrate.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528772046

Kanonisches Lächeln

C1=CC=NC(=C1)CCNC(=S)NC2=NC=C(C=C2)Br

IUPAC Name

1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea

InChIKey

HOCFDYZWQYGULA-UHFFFAOYSA-N

INCHI

1S/C13H13BrN4S/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11/h1-5,7,9H,6,8H2,(H2,16,17,18,19)

Isomere SMILES

C1=CC=NC(=C1)CCNC(=S)NC2=NC=C(C=C2)Br

PubChem CID

3000870

Molekulargewicht

337.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Imidolactams Aryl bromides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: Not available

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

Zugehörige Ziele (menschlich)

MT4 (17854 Activities)

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H9 (1832 Activities)

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Zugehörige Ziele (nicht menschlich)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Human immunodeficiency virus 1 (70413 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 337.240 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 336.004 Da
• Monoisotopic Mass: 336.004 Da
• Topological Polar Surface Area: 81.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 290.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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