TC E3 5031 - 10mM in DMSO , CAS No.1061605-21-7

CAS: 1061605-21-7 Cat. No.: T420490 Summenformel: C₁₅H₁₂N₂O₇ Molekulargewicht: 332.26 EG-Nummer: 876-928-2 PubChem CID: 25015436

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetic acid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Spezifikationen

Synonyme

2-[[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetic acid

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Derivative ofThalidomide, commonly used as a precursor to PROTAC®that hijacks cereblon as the E3 ubiquitin ligase component. Supplied with a carboxylic acid functional handle at a position known not to significantly affect binding to cereblon, for ready c

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

Pubchem Sid

528767360

Kanonisches Lächeln

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

IUPAC Name

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

InChIKey

ZVWIXIGBWIEDFO-UHFFFAOYSA-N

INCHI

1S/C15H12N2O7/c18-10-5-4-8(13(21)16-10)17-14(22)7-2-1-3-9(12(7)15(17)23)24-6-11(19)20/h1-3,8H,4-6H2,(H,19,20)(H,16,18,21)

Isomere SMILES

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

PubChem CID

25015436

Molekulargewicht

332.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phthalimides Alpha amino acids and derivatives Isoindoles Piperidinediones Phenol ethers Alkyl aryl ethers Delta lactams N-substituted carboxylic acid imides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Phenoxyacetate - Alpha-amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Piperidinedione - Phenol ether - Alkyl aryl ether - Delta-lactam - Piperidinone - Piperidine - Carboxylic acid imide, n-substituted - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Dicarboximide - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 332.260 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 332.064 Da
• Monoisotopic Mass: 332.064 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 617.000
• 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