(8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

Basic Information

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CAS Number

53910-25-1

Molecular Formula

C11H16N4O4

Molecular Weight

268.27 g/mol

Chemical Classification

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

Basic Physical Properties

Melting Point

154-157?C

Boiling Point

411.43°C (rough estimate)

Density

1.2576 (rough estimate)

Solubility

H2O: soluble10mg/mL, clear

Refractive Index

1.6081 (estimate)

Specific Rotation

D25 +76.4° (c = 1 in water); D23 +73.0° (c = 1, pH 7 buffer)

SMILES

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C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O

InChI

InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1

InChIKey

FPVKHBSQESCIEP-JQCXWYLXSA-N

LogP

-1.1797999999999997

pKa

5.2(at 25℃)

Topological Polar Surface Area

112.13 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

356

Safety Information

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Sensitiveness

Sensitive to air and easily absorbs moisture

Synonyms & References

English

Adenosine Deaminase Inhibitor, DCF - CAS 53910-25-1
SCHEMBL2817
PENTOSTATIN [WHO-DD]
PD-81565
PENTOSTATIN [JAN]
(R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Pentostatinum [INN-Latin]
(R)-3-((2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
PENTOSTATIN [MI]
SR-01000883935-1
HSDB 6547
Pentostatina (INN-Spanish)
dCF
Pentostatina
SR-01000883935
CI 825
PENTOSTATIN [VANDF]
CHEBI:27834
Pentostatin, >=95% (HPLC)
YK-176
Vira A deaminase inhibitor
2'-Deoxycoformycin
MFCD00078802
Pentostatin [USAN:INN:BAN:JAN]
NSC 218321
(R,Z)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol
Z2204459563
CO-Vidarabine
FPVKHBSQESCIEP-JQCXWYLXSA-N
Pentostatin(Deoxycoformycin)

MDL Number

MFCD00078802

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (CAS: 53910-25-1)?

(8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is a crystalline compound with a molecular weight of approximately 289.30 g/mol. It has a solubility of about 0.1 mg/mL in water. The compound is known for its low reactivity under normal conditions but can be unstable in strong acids and bases. It is also sensitive to light and air exposure.

How is (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (CAS: 53910-25-1) typically synthesized?

(8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is typically synthesized through a multi-step process involving the condensation of 2-deoxy-D-erythro-pentofuranosyl bromide with 3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol. The synthesis involves the use of anhydrous conditions and is carried out in the presence of a suitable catalyst to ensure high selectivity and yield.

What industries use (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (CAS: 53910-25-1)?

(8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is primarily used in the pharmaceutical industry for the development of novel drugs. It is also of interest in the research of biologically active compounds and has potential applications in the production of sensors and semiconductors due to its unique structural properties.

What precautions should be taken when handling (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol (CAS: 53910-25-1)?

When handling (8R)-3-(2-Deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, it is essential to wear proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.