WAY-639715 - ≥96% , CAS No.795285-30-2

CAS: 795285-30-2 Cat. No.: W417822 Summenformel: C₁₇H₁₆FN₅S Molekulargewicht: 341.41 PubChem CID: 2446031

GRADE & PURITY ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

neuroprotective effects

Specifications

Spezifikationen & Reinheit

≥96%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥96%

Produkteigenschaften

• ALogP: 4.496
• HBD-Zahl: 2
• Rotationsfähige Bindung: 5

Namen und Kennungen

• Pubchem Sid: 488192120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192120
• Kanonisches Lächeln: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)F
• IUPAC Name: 6-[(4-fluorophenyl)sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
• InChIKey: AAFATYSWBYJIIM-UHFFFAOYSA-N
• INCHI: 1S/C17H16FN5S/c1-11-4-2-3-5-14(11)20-17-22-15(21-16(19)23-17)10-24-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H3,19,20,21,22,23)
• Isomere SMILES: CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=CC=C(C=C3)F
• PubChem CID: 2446031
• Molekulargewicht: 341.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Thiophenol ethers Aniline and substituted anilines Toluenes Fluorobenzenes Alkylarylthioethers Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - Aryl thioether - Aniline or substituted anilines - Thiophenol ether - Fluorobenzene - Alkylarylthioether - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - Azacycle - Sulfenyl compound - Secondary amine - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Primary amine - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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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HEK293 (82097 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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NR0B1 Tbio Nuclear receptor subfamily 0 group B member 1 (493 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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NFKB2 Tchem Nuclear factor NF-kappa-B complex (2307 Activities)

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Plasmodium falciparum (966862 Activities)

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H4 (48 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10