4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Information

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CAS Number

606-58-6

Molecular Formula

C12H13N5O4

Molecular Weight

291.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

243°; mp 239-243°

Boiling Point

433.28°C (rough estimate)

Density

1.3067 (rough estimate)

Flash Point

389.9°C

Solubility

DMSO: soluble0.90 - 1.10mg/mL, clear, colorless

Refractive Index

1.7000 (estimate)

Specific Rotation

D16 -45.7° (c = 1.05 in 0.1N HCl)

SMILES

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OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(c2c1ncnc2N)C#N

InChI

InChI=1S/C12H16N4O4/c1-5-2-16(11-7(5)10(13)14-4-15-11)12-9(19)8(18)6(3-17)20-12/h2,4,6,8-9,12,17-19H,3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1

InChIKey

DVJXSXCZROOLKL-WOUKDFQISA-N

LogP

-1.0665800000000003

Topological Polar Surface Area

126.64999999999999 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

443

Safety Information

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Toxicity

LD100 s.c. in mice: 10-20 mg/kg (Nishimura)

Synonyms & References

English

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile,4-amino-7-b-D-ribofuranosyl-
4-AMINO-5-CYANO-7-(β-D-RIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE
4-AMINO-7-ß-D-RIBOFURANOSYL-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE
Toyocamycin
7-Cyano-7-deazaadenosine
a-399-y4
e-212
e-212-1
siromycin
unamycin-b
uramycinb
vengicide

MDL Number

MFCD00866513

FAQ

What regulatory guidelines apply to 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 606-58-6)?

This compound falls under various regulatory frameworks such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and FDA/EPA guidelines for chemical handling and disposal. Specific regulations include hazardous classification, safe handling practices, and environmental protection measures.

Are there alternatives to 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 606-58-6) in synthesis?

There are several alternatives and analogs in the synthesis of this compound, such as different amines, diols, and other heterocycles. Common substitutes include 4-Amino-7-(tetrahydrofuran-2-yloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile and related 2,3,4,5-substituted tetrahydrofurans, which can be used as precursors in similar reactions.

What is the market or research trend for 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 606-58-6)?

The market for this compound reflects a growing interest in novel pyrrolopyrimidine derivatives for their potential in drug development and bioactive applications. Research trends include its use in antiviral and anticancer therapies, with ongoing studies focusing on its mechanism of action and bioavailability.

How should waste containing 4-Amino-7-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS: 606-58-6) be handled?

Waste containing this compound should be collected in appropriate containers and stored separately. It is advisable to incinerate or dispose of such waste through professional chemical waste disposal services that adhere to local and international environmental protection regulations. Proper safety measures, including personal protective equipment and proper labeling, should always be followed.