N6-Benzoyl-2'-o-methyl-adenosine

Basic Information

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CAS Number

85079-00-1

Molecular Formula

C18H19N5O5

Molecular Weight

385.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.59±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3NC(C4=CC=CC=C4)=O)O1)OC)O

InChI

InChI=1S/C18H19N5O5/c1-27-14-13(25)11(7-24)28-18(14)23-9-21-12-15(19-8-20-16(12)23)22-17(26)10-5-3-2-4-6-10/h2-6,8-9,11,13-14,18,24-25H,7H2,1H3,(H,19,20,22,26)/t11-,13-,14-,18-/m1/s1

InChIKey

PHFHSPQCDRKMQJ-XWXWGSFUSA-N

LogP

0.344199999999999

Topological Polar Surface Area

131.62 Å²

Hydrogen Bond Donor/Acceptor

3 / 10

Complexity

549

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

N6-Benzoyl-2'-O-methyl-adenosine
nosine, N-benzoyl-2'-O-methyl-
Bz-2'-OMe-A
N6-benzoyl-O2\'-methyladenosine
N6-benzoyl-O2'-methyladenosine
Adenosine, N-benzoyl-2'-O-methyl-
Bz-2-OMe-A
N6-Benzoyl-2'-O-methyladenosine
N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
HG1280

MDL Number

MFCD15145188

FAQ

What are the physical and chemical properties of N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1)?

N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1) is a crystalline compound with a molecular weight of approximately 316.3 g/mol. It has a low solubility in water, approximately 0.02 g/L at 25°C. The compound is relatively stable and reacts mainly through nucleophilic substitution. It does not readily undergo hydrolysis or oxidation under normal conditions.

How is N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1) typically synthesized?

N6-Benzoyl-2'-o-methyl-adenosine is typically synthesized by the benzoylation of 2'-o-methyl-adenosine via a nucleophilic substitution reaction, followed by derivatization. Common reagents include benzoyl chloride and a suitable base such as triethylamine. The yield is usually around 85%, and the reaction is performed under anhydrous conditions to avoid side reactions.

What industries use N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1)?

N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1) is primarily used in the pharmaceutical industry for the development of nucleoside analogs and antiviral drugs. It is also used in the research of DNA and RNA modifications, which can have applications in biotechnology and genetic engineering. Additionally, it may be used in the synthesis of fluorescent probes for detection and imaging in analytical chemistry.

What precautions should be taken when handling N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1)?

When handling N6-Benzoyl-2'-o-methyl-adenosine (CAS: 85079-00-1), safety goggles and gloves should be worn to protect against skin contact and eye exposure. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spill, it should be carefully cleaned up using appropriate absorbent materials. Handling should be done in a well-ventilated area or fume hood to minimize inhalation risks. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.