5-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione - ≥95% , CAS No.191732-76-0

CAS: 191732-76-0 Cat. No.: A305285 Peso molecular: 273.25 Número EC: 876-546-6

GRADE & PURITY ≥95%

Synonyms

1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)-5-aminoisoindoline | SB64014 | EN300-7365471 | 5-Aminothalidomide | 5-amino-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione | IICWMVJMJVXCLY-UHFFFAOYSA-N | Z1269642572 | AKOS015311848 | 5-amino-2-(2,6-d

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Application

230

Descripción general

Application：

5-Amino-Thalidomide is a derivative of the Cereblon (CRBN)-binding ligand thalidomide. 5-Amino-Thalidomide can be used to bind the CRBN E3 ubiquitin ligase in targeted protein degradation research or in the synthesis of protein degraders with a C5 exit vector.

Specifications

Sinónimos

1, 3-dioxo-2-(2, 6-dioxopiperidin-3-yl)-5-aminoisoindoline | SB64014 | EN300-7365471 | 5-Aminothalidomide | 5-amino-2-(2, 6-dioxopiperidin-3-yl)-2, 3-dihydro-1H-isoindole-1, 3-dione | IICWMVJMJVXCLY-UHFFFAOYSA-N | Z1269642572 | AKOS015311848 | 5-amino-2-(2, 6-d

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488196326
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196326
• Sonrisas canónicas: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N
• IUPAC Name: 5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• InChIKey: IICWMVJMJVXCLY-UHFFFAOYSA-N
• INCHI: 1S/C13H11N3O4/c14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18/h1-2,5,9H,3-4,14H2,(H,15,17,18)
• Isómeros SMILES: C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N
• Peso molecular: 273.25
• Reaxy-Rn: 8338694
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8338694&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams N-substituted carboxylic acid imides Benzenoids N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Delta-lactam - Piperidinone - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PBMC (10003 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRBN Tclin Protein cereblon (139 Activities)

Discover Target: CRBN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CRBN Tclin Cereblon/Ikaros (139 Activities)

Discover Target: CRBN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de ebullición (°C): 603.8±50.0 °C(Predicted)
• Punto de fusión (°C): >300 °C
• Peso molecular: 273.240 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 273.075 Da
• Monoisotopic Mass: 273.075 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 504.000
• 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