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Structural formula

Business number 01FM
Molecular formula C11H14N4O4
Molecular weight 265.25
label

7-Deazadenosine,

7-.beta.-D-ribofuranosyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine,

4-Amino-7.beta.-D-ribofuranosyl-7H-pyrrolo(2,3-d)pyrimidine,

Genetic engineering research reagents

Numbering system

CAS number:69-33-0

MDL number:MFCD00056012

EINECS number:200-703-4

RTECS number:UY8870000

BRN number:38498

PubChem number:24899902

Physical property data

1. Character:White needle crystal


2. Density (g/mL,25/4℃): Unsure

3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC):247～248℃ (decomposition)


5. Boiling point (ºC,Normal pressure): Uncertain


6. Boiling point (ºC, 5.2kPa): Unsure


7. Refractive index:Not sure


8. Flash Point (ºC): Unsure


9. Specific optical rotation (º):-67 º, c=1,50%acetic acid


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


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


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


14. Critical temperature (ºC): Unsure


15. Critical pressure (KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


17. Explosion limit (%,V/V): Unsure


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


19. Solubility:1gsoluble in330mlWater, 200mlMethanol and2000mlIn ethanol, insoluble in acetone , ethyl acetate, chloroform, benzene and petroleum ether

Toxicological data

Acute toxicity: Rat oral LD50: 16 mg/kg; Rat abdominal cavity LD50 : 1 mg/kg;


Mouse oral LD50: 28320 ug/kg; mouse abdominal cavity LD50: 6 mg/kg;


Mouse veinLD50: 45 ug/kg; Dog oral LDLo：48 mg/kg; Dog VeinLDLo: 48 mg/kg;
Mutagenic: mouse leukocytesDNA Suppress test system:5400 ug/L;Mouse leukocyte change test system: 290 ug/L;
  Mouse abdominal cavityDominant lethal test：500 ug/kg;Rabbit KidneyDNA Suppression test system:18ug/L;
 Rabbit KidneyDNAChange test system (test system not unless otherwise specified):30 ug/L;

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 61.51


2. Molar volume (m3/mol）：139.5


3. isotonic specific volume (90.2K):431.6


4. Surface Tension (dyne/cm):91.5


5. Polarizability（10-24cm3): 24.38

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP）：-1.3


2. Hydrogen Bonding Number of donors: 4


3. Hydrogen Bonding Number of receptors: 7


4. Rotatable Number of chemical bonds: 2


5. Interchange Number of isomers: 4


6. Topological molecular polarity Surface area (TPSA): 127


7. Heavy atoms Quantity: 19


8. Surface charge ：0


9. Complexity ：334


10. Isotope atomic number:0


11. Determine the number of atomic stereocenters:4


12. Uncertain number of atomic stereocenters:0


13. Determine the number of stereocenters of chemical bonds:0


14. Uncertain number of chemical bond stereocenters:0


15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

None

Purpose

To Mycobacterium tuberculosisBCGMinimum inhibitory concentration MICLess than1μg/ml, 5μg/mlSuppress miceNFSarcoma cells, inhibit sarcoma in animals180, Ehrlich ascites carcinoma is also responsible for Pyroplasma oryzae and Candida albicans There is a weak inhibitory effect.

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