Thalidomide-O-amido-C6-NH2 hydrochloride - ≥95%(HPLC) , CAS No.2376990-31-5

CAS: 2376990-31-5 Cat. No.: T288909 Molecular Weight: 466.92 EC Number: 194-595-5 PubChem CID: 145874886

GRADE & PURITY ≥95%(HPLC)

Synonyms

N-(6-Aminohexyl)-2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)acetamide hydrochloride | Thalidomide - linker 15 | N-(6-Aminohexyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetamide hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-(6-Aminohexyl)-2-((2-(2, 6-dioxopiperidin-3-yl)-1, 3-dioxoisoindolin-4-yl)oxy)acetamide hydrochloride | Thalidomide - linker 15 | N-(6-Aminohexyl)-2-[[2-(2, 6-dioxo-3-piperidinyl)-2, 3-dihydro-1, 3-dioxo-1H-isoindol-4-yl]oxy]acetamide hydrochloride

Specifications & Purity

≥95%(HPLC)

Biochemical and Physiological Mechanisms

An E3 ligase ligand and an alkyl linker with amine terminal are integrated to prepare for binding with the target protein ligand

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.

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCCCCN.Cl
• IUPAC Name: N-(6-aminohexyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;hydrochloride
• InChIKey: AKGOZIANMTYDFK-UHFFFAOYSA-N
• INCHI: 1S/C21H26N4O6.ClH/c22-10-3-1-2-4-11-23-17(27)12-31-15-7-5-6-13-18(15)21(30)25(20(13)29)14-8-9-16(26)24-19(14)28;/h5-7,14H,1-4,8-12,22H2,(H,23,27)(H,24,26,28);1H
• PubChem CID: 145874886
• Molecular Weight: 466.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Maleimides Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides N-acyl amines Benzenoids Pyrrolines N-unsubstituted carboxylic acid imides Dicarboximides Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Maleimide - Piperidinone - Delta-lactam - Alkyl aryl ether - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - N-acyl-amine - Pyrroline - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 466.900 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 466.162 Da
• Monoisotopic Mass: 466.162 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 727.000
• 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: 2

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