{(1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol

Basic Information

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CAS Number

136470-78-5

Molecular Formula

C14H18N6O

Molecular Weight

286.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

165°

Boiling Point

636°C at 760 mmHg

Density

1.7g/cm3

Flash Point

636 °C at 760 mmHg

Refractive Index

1.864

Specific Rotation

D20 -59.7°; 43620 -127.8°; 36520 -218.1° (c = 0.15 in methanol)

SMILES

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C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)CO

InChI

InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1

InChIKey

MCGSCOLBFJQGHM-SCZZXKLOSA-N

LogP

1.0922999999999998

pKa

5.01(at 25℃)

Topological Polar Surface Area

101.88 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

414

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

CHEMBL1380
AB01566826_01
DTXSID4046444
(+/-)-Abacavir
(1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol
ABACAVIR [VANDF]
s5215
CS-1354
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
Ziagen
NCGC00164560-05
NSC-742406
C07624
ABACAVIR [MI]
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol
ABACAVIR [WHO-DD]
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol
MCGSCOLBFJQGHM-SCZZXKLOSA-N
AKOS024464970
ABC
Abacavir [INN:BAN]
NSC742406
2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S-cis)-
UNII-WR2TIP26VS
SCHEMBL38632
1592U89
MLS006010117
GTPL11152
(-)-CIS-4-(2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL
NS00007385
2-Cyclopentene-1-methanol, 4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-, (1S,4R)-

MDL Number

MFCD00903850

FAQ

What is (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol (CAS: 136470-78-5)?

This compound is a complex organic molecule used in pharmaceutical research. It has a chemical formula and structure that includes a purine ring, amino groups, and a cyclopentenyl moiety. It is not commonly found in natural products and is primarily of interest for its potential applications in drug development.

What are the main uses of (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol (CAS: 136470-78-5)?

This compound is mainly used in research for developing potential therapeutic agents. It may have applications in oncology and other disease treatments, but its specific uses are limited and are still under investigation.

Is (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol (CAS: 136470-78-5) safe?

Safety data for this compound is limited, but it is important to follow standard safety protocols when handling. It should be stored under nitrogen and away from direct sunlight. Specific toxicity data is not widely available, so it is crucial to use appropriate protective equipment and follow industrial safety guidelines.

How should (1S,4R)-4-[2-Amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl}methanol (CAS: 136470-78-5) be stored?

This compound should be stored in a dry, cool, and dark place to avoid degradation. It is recommended to store it under nitrogen to prevent oxidation. Use a tightly sealed container and avoid exposure to moisture and light. The ideal storage temperature is below 20°C and relative humidity below 60%.