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Purvalanol A

Purvalanol A structure

CAS No:
212844-53-6
Formula:
C19H25ClN6O
Chemical Name:
Purvalanol A
Synonyms:
1-Butanol,2-[[6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-,(2R)-;(2R)-2-[[6-[(3-Chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl]amino]-3-methyl-1-butanol;Purvalanol A;NG 60;(R)-Purvalanol A;(2R)-2-[[6-(3-Chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
Categories:
Biochemical Engineering > Inhibitors

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Description

Purvalanol A is a purvalanol.

Purvalanol A Basic Attributes

Molecular Weight：

388.89

Exact Mass：

388.89

UNII：

YP483E75C4

DSSTox ID：

DTXSID30175553

HScode：

2933990090

Characteristics

PSA：

87.9

XLogP3：

4.3

Appearance：

off-white powder

Density：

1.33±0.1 g/cm3(Predicted)

Boiling Point：

590.5°C at 760 mmHg

Flash Point：

310.9ºC

Refractive Index：

1.654

Water Solubility：

methylene chloride: 50 mg/mL, clear, colorless

Storage Conditions：

−20°C

Vapor Pressure：

8.68E-15mmHg at 25°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine

Computed Properties

Molecular Weight:388.9
XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:388.1778371
Monoisotopic Mass:388.1778371
Topological Polar Surface Area:87.9
Heavy Atom Count:27
Complexity:468
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes