9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol

Basic Information

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CAS Number

68892-42-2

Molecular Formula

C14H19N5O5

Molecular Weight

337.34 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

Melting Point

300°C(dec.)

SMILES

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CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)CO)O

InChI

InChI=1S/C14H19N5O5/c1-6(2)12(22)17-14-16-11-10(13(23)18-14)15-5-19(11)9-3-7(21)8(4-20)24-9/h5-9,20-21H,3-4H2,1-2H3,(H2,16,17,18,22,23)/t7-,8+,9+/m0/s1

InChIKey

SIDXEQFMTMICKG-DJLDLDEBSA-N

LogP

-0.645199999999999

Topological Polar Surface Area

142.35999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

554

Safety Information

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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

AKOS024285522
N2-Isobutyryl-2'-deoxyguanosine
2-N-isobutyryldeoxyguanosine
DTXSID90218970
2'-Deoxy-N-(2-methyl-1-oxopropyl)-guanosine
AKOS015837632
A807925
Guanosine, 2'-deoxy-N-(2-methyl-1-oxopropyl)-
2-N-isobutyryl-2'-deoxyguanosine
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-
BP-58860
2'-Deoxy-N2-isobutyrylguanosine
N2-Isobutyryl-2-deoxyguanosine
SCHEMBL264545
T72829
68892-42-2
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
AC-32162
FS-4743
n-isobutyryl-2'-deoxyguanosine
I0700
SIDXEQFMTMICKG-DJLDLDEBSA-N
CS-W016727
N-(9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
MFCD00010060
N2-Isobutyl-deoxyguanosine
A836284
SIDXEQFMTMICKG-DJLDLDEBSA-
C14H19N5O5
N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
dG-Ibu

MDL Number

MFCD00010060

Customs Code

2934999090

FAQ

What is 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol (CAS: 68892-42-2)?

9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol, also known as 9-(2-Deoxy-2-methyl-erythro-pentofuranosyl)-2-(E)-N-(2-hydroxy-2-methylprop-1-enyl)aminopurine (CAS: 68892-42-2), is a purine derivative with a unique sugar moiety. It is a synthetic compound used in medicinal chemistry for developing antiviral drugs.

What are the main uses of 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol (CAS: 68892-42-2)?

This compound is primarily used in the development of antiviral drugs, particularly for treating influenza. It serves as a lead compound in medicinal chemistry, providing a basis for the design and synthesis of more potent antiviral agents.

Is 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol (CAS: 68892-42-2) safe?

While generally considered safe in controlled pharmaceutical settings, this compound should be handled with caution due to its potential toxicity. It is important to follow all safety guidelines and use appropriate personal protective equipment (PPE) during handling and synthesis. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.

How should 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)-2-[(E)-(1-hydroxy-2-methylpropylidene)amino]-9H-purin-6-ol (CAS: 68892-42-2) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. It should be kept in a tightly sealed container to protect it from moisture. The storage temperature should be maintained below 25°C to ensure stability. Proper ventilation is also necessary to avoid the accumulation of flammable vapors.