5'-Fluoroindirubinoxime - Moligand™, ≥98% , CAS No.861214-33-7

CAS: 861214-33-7 Cat. No.: F288198 Molecular Weight: 295.27 PubChem CID: 135398503

GRADE & PURITY Moligand™, ≥98%

Synonyms

5'-Fluoro-1H | 1'H-[2,3']biindolylidene-3,2'dione 3-oxime | 5'-FIO | 5'-fluoro-3-(hydroxyamino)-1H,2'H-[2,3'-biindol]-2'-one | compound 13

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5'-Fluoro-1H | 1'H-[2, 3']biindolylidene-3, 2'dione 3-oxime | 5'-FIO | 5'-fluoro-3-(hydroxyamino)-1H, 2'H-[2, 3'-biindol]-2'-one | compound 13

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Inhibitor of FMS-like receptor tyrosine kinase-3 (FLT3) (IC50= 15 nM). Displays selectivity for FLT3 against 6 other kinases including EGFR. Displays antiproliferative activity against the MV4;11 cell line (expressing constitutively active FLT3) and a num

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)F)O)N=O
• IUPAC Name: 5-fluoro-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol
• InChIKey: LAPHNLUPQPQSKF-UHFFFAOYSA-N
• INCHI: 1S/C16H10FN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
• Isomeric SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)F)O)N=O
• PubChem CID: 135398503
• Molecular Weight: 295.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Substituted pyrroles Benzenoids Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Benzenoid - Substituted pyrrole - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Organic nitroso compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 29.53, Max Conc. mM: 100
• Molecular Weight: 295.270 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 295.076 Da
• Monoisotopic Mass: 295.076 Da
• Topological Polar Surface Area: 81.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 438.000
• 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