TJ191 - ≥98% , CAS No.1522415-97-9

CAS: 1522415-97-9 Cat. No.: T413693 Summenformel: C₁₃H₂₁NO₂S Molekulargewicht: 255.38 PubChem CID: 72704992

QUALITÄT & REINHEIT ≥98%

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

TJ191 is a selective anti-cancer agent that targets low TβRIII-expressing malignant T-cell leukemia/lymphoma cells.

Spezifikationen

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

TJ191 is a selective anti-cancer agent that targets low TβRIII-expressing malignant T-cell leukemia/lymphoma cells.

Storage

Protected from light,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

528767405

Kanonisches Lächeln

CCCCCCCC1=CC(=C(S1)N)C(=O)OC

IUPAC Name

methyl 2-amino-5-heptylthiophene-3-carboxylate

InChIKey

HUFNXSPJUAHQHP-UHFFFAOYSA-N

INCHI

1S/C13H21NO2S/c1-3-4-5-6-7-8-10-9-11(12(14)17-10)13(15)16-2/h9H,3-8,14H2,1-2H3

Isomere SMILES

CCCCCCCC1=CC(=C(S1)N)C(=O)OC

PubChem CID

72704992

Molekulargewicht

255.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: 2,3,5-trisubstituted thiophenes 2-aminothiophenes Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - 2-aminothiophene - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 255.380 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 255.129 Da
• Monoisotopic Mass: 255.129 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 235.000
• 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