Thalidomide 4'-ether-alkylC8-acid - ≥95%(HPLC) , CAS No.2225148-51-4

CAS: 2225148-51-4 Cat. No.: T288489 Summenformel: C₂₂H₂₆N₂O₇ Molekulargewicht: 430.46 PubChem CID: 139433330

GRADE & PURITY ≥95%(HPLC)

Synonyms

9-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]nonanoic acid | Thalidomide-O-C8-COOH

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Application

230

Specifications

Synonyme

9-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]nonanoic acid | Thalidomide-O-C8-COOH

Spezifikationen & Reinheit

≥95%(HPLC)

Biochemische und physiologische Mechanismen

Functionalized cereblon ligand for PROTAC®research and development; incorporates an E3 ligase ligand plus an alkylC8 linker with a terminal carboxylic acid ready for conjugation to a target protein ligand. Part of a range of functionalized tool molecules

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%(HPLC)

Namen und Kennungen

Pubchem Sid

528772865

Kanonisches Lächeln

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCCCCCCCC(=O)O

IUPAC Name

9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoic acid

InChIKey

JDVPWEYIVOQCDX-UHFFFAOYSA-N

INCHI

1S/C22H26N2O7/c25-17-12-11-15(20(28)23-17)24-21(29)14-8-7-9-16(19(14)22(24)30)31-13-6-4-2-1-3-5-10-18(26)27/h7-9,15H,1-6,10-13H2,(H,26,27)(H,23,25,28)

PubChem CID

139433330

Molekulargewicht

430.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines
        • Ebene5 Isoindolones
          • Ebene6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Piperidinediones Heterocyclic fatty acids Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides N-acyl amines Benzenoids N-unsubstituted carboxylic acid imides Dicarboximides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Piperidinedione - Piperidinone - Heterocyclic fatty acid - Delta-lactam - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 430.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 430.174 Da
• Monoisotopic Mass: 430.174 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 723.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1