Namoline - Moligand™,≥99% , CAS No.342795-11-3

CAS: 342795-11-3 Cat. No.: N275287 Summenformel: C₁₀H₃ClF₃NO₄ Molekulargewicht: 293.58

GRADE & PURITY Moligand™, ≥99%

Synonyms

3-Chloro-6-nitro-2-(trifluoromethyl)-4H-1-benzopyran-4-one

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Store at -20°C (desiccating conditions).

Specifications

Synonyme

3-Chloro-6-nitro-2-(trifluoromethyl)-4H-1-benzopyran-4-one

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

Selective, reversible lysine-specific demethylase 1 (LSD1) inhibitor (IC 50 = 51 μM). Silences androgen receptor-regulated gene expression. Shows antiproliferative effects in vivo.

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Hinweis

Providing storage is as stated on the product vial and the vial is kept tightly sealed, the product can be stored for up to 12 months. Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)C(F)(F)F)Cl
• IUPAC Name: 3-chloro-6-nitro-2-(trifluoromethyl)chromen-4-one
• InChIKey: DYEGRZKBJMKSKD-UHFFFAOYSA-N
• INCHI: 1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H
• Isomere SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)C(F)(F)F)Cl
• Molekulargewicht: 293.58
• Reaxy-Rn: 8847412
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8847412&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Nitroaromatic compounds Pyranones and derivatives Aryl chlorides Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organochlorides Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Nitroaromatic compound - Pyranone - Aryl chloride - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO to 100 mM
• Molekulargewicht: 293.580 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 292.97 Da
• Monoisotopic Mass: 292.97 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 457.000
• 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