N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine | CAS No. 817204-32-3

N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine

Basic Information

CAS Number

817204-32-3

Molecular Formula

C31H26FN3O7

Molecular Weight

571.56 g/mol

AD

Basic Physical Properties

Melting Point

241 ºC (dichloromethane hexane )

Density

1.34±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.0E-5 g/L) (25 ºC),

[H][C@]1(COC(=O)C2=CC=CC=C2)O[C@@]([H])(N2C=CC(NC(=O)C3=CC=CC=C3)=NC2=O)[C@](C)(F)[C@]1([H])OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C31H26FN3O7/c1-31(32)25(42-28(38)22-15-9-4-10-16-22)23(19-40-27(37)21-13-7-3-8-14-21)41-29(31)35-18-17-24(34-30(35)39)33-26(36)20-11-5-2-6-12-20/h2-18,23,25,29H,19H2,1H3,(H,33,34,36,39)/t23-,25-,29-,31-/m1/s1

InChIKey

MXEQSUUFNWPUJH-RDWHIKKYSA-N

LogP

4.203800000000003

Topological Polar Surface Area

125.82000000000002 Ų

Hydrogen Bond Donor/Acceptor

1 / 10

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • PSI-6130 derivative
  • Cytidine, N-benzoyl-2'-deoxy-2'-fluoro-2'-Methyl-, 3',5'-dibenzoate, (2'R)-
  • 2'-Deoxy-2'-fluoro-2'- Methyl-N-(phenylcarbonyl) cytidine
  • (2'R)-N-Benzoyl-2'-deoxy-2'-fluoro-2'-Methylcytidine 3',5'-dibenzoate
  • 3',5'-O-4-Tribenzoyl-2'-deoxy-2'-fluoro-2'-C-Methylcytidine
  • (2R,3R,4R,5R)-5-(4-Benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate
  • (2'R)-N-Benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine 3',5'-dibenzoat
  • 4-(Benzoylamino)-1-[5-O-benzoyl-2-deoxy-2-fluoro-2-methyl-3-O-(ph enoxycarbonyl)-β-D-xylofuranosyl]-2(1H)-pyrimidinone
  • N-4,3',5'-tri-O-benzoyl-2'-deoxy-2'-fluoro-2'-C-methylcytidine
  • [(2R,3R,4R,5R)-5-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)-3-(benzoyloxy)-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
  • (2R,3R,4R,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

MDL Number

MFCD23106344

FAQ

What is N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3)?

N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) is a synthetic nucleoside derivative with potential pharmaceutical applications. It contains a cytidine backbone modified with benzoyl groups at the 3' and 5' positions, a 2'-fluoro substitution, and a 2'-methyl group. The compound is known for its chemical stability and is often used in research for its antiviral and antitumor properties.

What are the main uses of N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3)?

N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) is primarily used in pharmaceutical research for its potential antiviral and antitumor activities. It may also be employed in the development of nucleoside analogs for drug design, as well as in chemical synthesis and molecular biology studies. Its unique structure makes it a valuable compound in the exploration of nucleotide-based therapies.

Is N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) safe?

N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) is generally considered safe when handled properly in controlled laboratory settings. However, as with many chemical compounds, it should be used with appropriate safety measures, such as wearing protective gloves and goggles. Safety data sheets (SDS) should be consulted for detailed handling and exposure guidelines.

How should N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) be stored?

N-Benzoyl-3',5'-di-O-benzoyl-2'-deoxy-2'-fluoro-2'-methylcytidine (CAS: 817204-32-3) should be stored in a cool, dry place away from direct light. It is typically kept in a sealed container at a temperature below 25°C and in low humidity conditions to maintain its stability. Proper storage helps prevent degradation and ensures the compound remains effective for research or pharmaceutical applications.

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