Thalidomide fluoride - ≥98% , CAS No.835616-60-9

CAS: 835616-60-9 Cat. No.: T304742 분자식: C₁₃H₉FN₂O₄ 분자량: 276.22 EC 번호: 830-714-5 PubChem CID: 11859051

GRADE & PURITY ≥98%

Synonyms

E3 ligase Ligand 4 | E3 ligase Ligand 4(TC-E3 5032) | MFCD11840666 | FT-0774298 | LCZC1115 | US11059801, Compound D-14 | 4-Fluoro-thalidomide | MS-0703 | TC E3 5032;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione | Thalidomide fluoride | 2-(2,6-

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

2-(2,6-Dioxo-3-piperidinyl)-4-fluoro-1H-isoindole-1,3(2H)-dione is an intermediate in the synthesis of N-[2-Aminoethyl] Pomalidomide TFA Salt (N-[2-Aminoethyl] Pomalidomide TFA is a thalidomide derivative, a potent inhibitor of TNF-α production. It is an anti-inflammatory and anti-tumor agent used in the treatment of multiple myeloma.

Specifications

동의어

E3 ligase Ligand 4 | E3 ligase Ligand 4(TC-E3 5032) | MFCD11840666 | FT-0774298 | LCZC1115 | US11059801, Compound D-14 | 4-Fluoro-thalidomide | MS-0703 | TC E3 5032;2-(2,6-dioxopiperidin-3-yl)-4-fluoroisoindoline-1,3-dione | Thalidomide fluoride | 2-(2,6-

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504766792

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766792

정식 스마일

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

IUPAC Name

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

InChIKey

CRAUTELYXAAAPW-UHFFFAOYSA-N

INCHI

1S/C13H9FN2O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5H2,(H,15,17,18)

이성체 SMILES

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

PubChem CID

11859051

분자량

276.22

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Alpha amino acids and derivatives Isoindoles Piperidinediones Delta lactams Aryl fluorides N-substituted carboxylic acid imides Benzenoids Vinylogous halides N-unsubstituted carboxylic acid imides Dicarboximides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Alpha-amino acid or derivatives - Isoindole - Piperidinedione - Delta-lactam - Piperidinone - Aryl fluoride - Aryl halide - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Carboxylic acid imide - Dicarboximide - Vinylogous halide - Carboxylic acid imide, n-unsubstituted - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Dichloromethane (Slightly, Heated), DMSO (Slightly)
• 감도: Light & Heat & Air sensitive
• 끓는점(°C): 520.9±45.0 °C(Predicted)
• 녹는점(°C): 254-256℃
• 분자량: 276.220 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 276.055 Da
• Monoisotopic Mass: 276.055 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 507.000
• 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