Thalidomide-OH - ≥99% , CAS No.5054-59-1

CAS: 5054-59-1 Cat. No.: T303826 Fórmula: C₁₃H₁₀N₂O₅ Peso molecular: 274.23 Número CE: 826-734-9

GRADE & PURITY ≥99%

Synonyms

SY233142 | 4-hydroxy-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione | US11059801, Compound D-1 | ZKA69498 | 2-(2,6-dioxo-piperidine-3-yl)-4-hydroxy-isoindole-1,3-dione | 4-Hydroxy thalidomide, (+/-)- | SKEXQIJIXQSFRX-UHFFFAOYSA-N | XMPJICVFSDYOEG-UHFFFAO

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SY233142 | 4-hydroxy-2-(2,6-dioxo(3-piperidyl))isoindoline-1,3-dione | US11059801, Compound D-1 | ZKA69498 | 2-(2,6-dioxo-piperidine-3-yl)-4-hydroxy-isoindole-1,3-dione | 4-Hydroxy thalidomide, (+/-)- | SKEXQIJIXQSFRX-UHFFFAOYSA-N | XMPJICVFSDYOEG-UHFFFAO

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504766723

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766723

Sorrisos canónicos

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

IUPAC Name

2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione

InChIKey

XMPJICVFSDYOEG-UHFFFAOYSA-N

INCHI

1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)

SMILES isoméricas

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

Peso molecular

274.23

Reaxy-Rn

1594237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1594237&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-substituted carboxylic acid imides Vinylogous acids N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Delta-lactam - Phenol - Piperidinone - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Vinylogous acid - Lactam - Azacycle - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Alvos associados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de ebulição (°C): 568.3±45.0 °C(Predicted)
• Ponto de fusão (°C): 273-275 °C
• Peso molecular: 274.230 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 274.059 Da
• Monoisotopic Mass: 274.059 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 503.000
• 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

Perguntas frequentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5054-59-1, the molecular formula is C13H10N2O5, and the molecular weight is 274.23 g/mol. InChIKey XMPJICVFSDYOEG-UHFFFAOYSA-N.