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Remdesivir

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Identification
Molecular formula
C27H35N6O8P
CAS number
1809249-37-3
IUPAC name
(4aR,6R,7R,7aS)-6-(6-amino-8-bromo-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
State
State
Solid
Melting point (Celsius)
203.50
Melting point (Kelvin)
476.65
Boiling point (Celsius)
572.00
Boiling point (Kelvin)
845.15
General information
Molecular weight
602.59g/mol
Molar mass
602.5850g/mol
Density
2.0000g/cm3
Appearence
Remdesivir is a white to off-white crystalline powder.
Comment on solubility

Solubility Characteristics

The compound (4aR,6R,7R,7aS)-6-(6-amino-8-bromo-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol exhibits intriguing solubility properties that are significant for various applications.

Solubility in Different Solvents

When considering the solubility of this compound, it is essential to analyze its behavior in various solvents. Generally, one can categorize solubility as follows:

  • Polar Solvents: The presence of polar functional groups such as hydroxyl and amino groups suggests that the compound may have reasonable solubility in polar solvents like water and methanol.
  • Non-Polar Solvents: Conversely, the bulky structure may hinder solubility in strictly non-polar solvents, indicating low compatibility with hydrocarbons or ethers.
  • Organics: Moderate solubility might be anticipated in polar organic solvents like acetone or ethanol.

Factors Influencing Solubility

The solubility of this compound can be influenced by several factors:

  • Temperature: Increased temperature often enhances solubility.
  • pH Levels: The ionization of the amino group may vary with pH, affecting overall solubility.
  • Interactions: Potential hydrogen bonding with solvent molecules can significantly aid in its dissolution.

In conclusion, while the compound exhibits promising solubility characteristics in certain polar solvents, the precise solubility profile ideally requires empirical investigation to ensure accuracy and application-specific relevance. Understanding these interactions is essential for optimizing its use in biological or chemical applications. As always, "solubility is not just a property, but a dynamic interplay between structure and environment."

Interesting facts

Interesting Facts about (4aR,6R,7R,7aS)-6-(6-amino-8-bromo-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

This intriguing compound belongs to a class of molecules known for their unique structural features and biological activity. Here are some interesting aspects that highlight its significance:

  • Complex Structure: The compound showcases a sophisticated arrangement of multiple rings and functional groups, including a purine base and a dioxaphosphinin system. This complex architecture allows for unique interactions with biological systems.
  • Potential Bioactivity: Due to the presence of the purine moiety, this compound has potential applications in pharmacology, particularly in the fields of nucleic acid research and drug development. Compounds of this nature can be integral in designing antiviral or anticancer therapies.
  • Bridging Chemistry and Biology: The diverse functionalities within its structure exemplify the interplay between organic chemistry and biological functions, revealing a prime candidate for studies in medicinal chemistry.
  • Stereochemistry Matters: The stereochemical configuration of this compound, indicated by the (4aR,6R,7R,7aS) notation, is crucial. It influences the compound's reactivity and the biological recognition by target enzymes or receptors.
  • Applications in Drug Design: The modifications on the purine nucleus, including amino and bromo substituents, can significantly alter the pharmacokinetic properties, leading to variations in potency, selectivity, and side effects.
  • Research Interest: Due to its complexity and potential biological relevance, this compound is likely to be of great interest in research circles, leading to potential further studies to unravel all its biochemical roles.

Overall, (4aR,6R,7R,7aS)-6-(6-amino-8-bromo-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol is a remarkable compound that exemplifies the intricate relationship between structure and function in chemical compounds, especially those with biological significance.

Synonyms
8-bromo-cAMP
23583-48-4
8-Bromo-cyclic AMP
8-Bromo-cyclic 3',5'-AMP
Cyclic AMP, 8-bromo
8-Bromoadenosine cyclic 3',5'-phosphate
Cyclic 8-bromoadenosine 3',5'-monophosphate
8-Bromoadenosine 3',5'-monophosphate
8-BROMO CYCLIC ADENOSINE MONOPHOSPHATE
5QO1UW05Q5
NSC-171719
DTXSID1040403
Br Cycl AMP
8 Bromo cAMP
8 Br Cyclic AMP
8-Br Cyclic AMP
AMP, Br Cycl
8 Bromo Cyclic AMP
8-Bromo Cyclic AMP
Cyclic AMP, 8-Br
8 Bromo Cyclic Adenosine Monophosphate
RefChem:388761
8 Bromoadenosine 3',5' Cyclic Monophosphate
8 Bromo Cyclic Adenosine Monophosphate, Sodium Salt
8 Bromo Cyclic Adenosine Monophosphate, Monosodium Salt
DTXCID501506393
245-760-6
Adenosine, 8-bromo-, cyclic 3',5'-(hydrogen phosphate)
8-Br-cAMP
BCAMP
8-Bromoadenosine 3',5'-cyclic monophosphate
MFCD00075580
8-bromo-3',5'-cyclic AMP
(4AR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)-2,7-dihydroxytetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide
CHEBI:64211
8-bromoadenosine 3',5'-(hydrogen phosphate)
C10H11BrN5O6P
(4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide
EINECS 245-760-6
NSC 171719
UNII-5QO1UW05Q5
8-BROMOADENOSINE-CAMP
8-Bromoadenosine cyclic 3',5'-(hydrogen phosphate)
orb1694603
SCHEMBL2713659
CHEMBL1626177
SCHEMBL29359388
HY-12306A
AKOS030573818
NB07972
PD017512
SY074358
8-Bromoadenosine-3',5'-cyclic monophosphate
CS-0089433
W16909
8-Bromo-D-adenosine 3',5'-cyclic monophosphate
F554595
8-BROMOADENOSINE CYCLIC 3',5'-MONOPHOSPHATE
Q4644267
BRD-A09554849-236-07-6
Adenosine,8-bromo-,cyclic 3',5'-(hydrogen phosphate)
8-Bromoadenosine 3',5'-cyclic monophosphate, >=97% (HPLC)
(4aR,6R,7R,7aS)-6-(6-amino-8-bromo-purin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
4H-Furo[3,2-d]-1,3,2-dioxaphosphorin-7-ol, 6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-2-hydroxy-, 2-oxide, (4aR,6R,7R,7aS)-