LGD-2226 - Moligand™,≥98% , CAS No.328947-93-9

CAS: 328947-93-9 Cat. No.: L1059846 Molecular Weight: 392.22 EC Number: 803-690-9 PubChem CID: 11560224

GRADE & PURITY Moligand™, ≥98%

Synonyms

6-[Bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-2(1H)-quinolinone | LGD-2226(LGD2226) | 2(1H)-Quinolinone,6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)- | 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

LGD-2226 is a selective androgen receptor modulator with an EC50 of 0.2 nM and a Ki of 1.5 nM for human androgen receptor. LGD-2226 shows tissue selectivity in animal models, with reduced effects on prostate compared to muscle. LGD-2226 can be used for muscle wasting, osteoporosis and sexual dysfunction.

Specifications

Synonyms

6-[Bis(2, 2, 2-trifluoroethyl)amino]-4-(trifluoromethyl)-2(1H)-quinolinone | LGD-2226(LGD2226) | 2(1H)-Quinolinone, 6-[bis(2, 2, 2-trifluoroethyl)amino]-4-(trifluoromethyl)- | 6-[bis(2, 2, 2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

MODULATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F
• IUPAC Name: 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
• InChIKey: ULBPQWIGZUGPHU-UHFFFAOYSA-N
• INCHI: 1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
• Isomeric SMILES: C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F
• PubChem CID: 11560224
• Molecular Weight: 392.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminoquinolines and derivatives
• Alternative Parents: Hydroquinolones Hydroquinolines Nitrogen mustard compounds Dialkylarylamines Pyridinones Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoquinoline - Dihydroquinolone - Dihydroquinoline - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Lactam - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
• 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

• Molecular Weight: 392.220 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 392.057 Da
• Monoisotopic Mass: 392.057 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 548.000
• 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