5-Bromo-2′-deoxyuridine 5-Bromo-2′-deoxyuridine

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:59-14-3

MDL number:MFCD00006529

EINECS number:200-415-9

RTECS number:YU7350000

BRN number:30395

PubChem number:24278270

Physical property data

1. Properties: off-white powder.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 187～189

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17. Explosion upper limit ( %, V/V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Hardly soluble in water and methanol, almost insoluble in chloroform and benzene, easily soluble in sodium hydroxide solution.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 58.92

2. Molar volume (cm³/mol): 161.1

3. Isotonic specific volume (90.2K): 481.3

4. Surface tension (dyne/cm): 79.5

5. Polarizability (10^-24cm³): 23.35

Compute chemical data

1. Hydrophobic parameter calculation reference��(XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Rotable Number of chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 99.1

7. Number of heavy atoms: 17

8. Surface charge: 0

9. Complexity: 386

10. Number of isotope atoms: 0

11. Determine Number of atomic stereocenters: 3

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

This product is a thymidine metabolism antagonist that can inhibit the proliferation of adenovirus. It is generally used as a radiosensitizer during cell proliferation. It is incorporated into DAN instead of thymine to increase the sensitivity of cells to radioactivity and ultraviolet light.

Storage method

This product should be sealed with argon and stored at 4℃.

Synthesis method

None yet

Purpose

1. Biochemical research. ​​

2.Radiosensitizer for brain tumors and head and neck tumors to improve the effect of radiotherapy. Combination with anti-metabolite agents can also improve efficacy.