 Home > Encyclopedia > Butyrolactone I

Butyrolactone I

Butyrolactone I structure

CAS No:
87414-49-1
Formula:
C24H24O7
Chemical Name:
Butyrolactone I
Synonyms:
2-Furancarboxylic acid,2,5-dihydro-4-hydroxy-2-[[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-,methyl ester,(2R)-;2-Furancarboxylic acid,2,5-dihydro-4-hydroxy-2-[[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-oxo-,methyl ester,(2R)-;Butyrolactone I;Olomoucin;4′-O-Demethylversicolactone D;65372-42-1
Categories:
Organic Chemistry > Lactones

Request for Quotation

Butyrolactone I Basic Attributes

Molecular Weight：

424.44

Exact Mass：

424.44

DSSTox ID：

DTXSID50236337

Characteristics

PSA：

113

XLogP3：

3.58690

Density：

1.353±0.06 g/cm3(Predicted)

Melting Point：

95 °C

Boiling Point：

661.1ºC at 760 mmHg

Flash Point：

228ºC

Refractive Index：

1.633

Water Solubility：

soluble in ethanol at 25mg/ml or DMSO at 10mg/ml

Safety Information

RTECS Number：

LU0221600

Drug Information

MeSH：

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

MeSH Entry Terms：

alpha-oxo-beta-(4-hydroxyphenyl)-gamma-(4-hydroxy-m-3,3-dimethylallylbenzyl)-gamma-methoxycarbonyl-gamma-butyrolactone

Butyrolactone I Use and Manufacturing

Butyrolactone I is one of a family of three butyrolactones isolated from Aspergillus fumigatus, first reported in 1983. Butyrolactone I exhibits antitumor activity, inhibiting the cell cycle at the G1/S and G2/M transitions. Butyrolactone I is a selective inhibitor of cyclin-dependent kinases CDK1/cyclin B, CDK2 and CDK5, and is an important bioprobe for understanding the cellular roles of CDKs.

Computed Properties

Molecular Weight:424.4
XLogP3:4.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:424.15220310
Monoisotopic Mass:424.15220310
Topological Polar Surface Area:113
Heavy Atom Count:31
Complexity:743
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes