Name: Name:Bs-181
Brand: Angene
SKU: AG008TEO
Rating: 90 (10 reviews)

Bs-181

CAS No.:

1092443-52-1

Catalog Number:

AG008TEO

Molecular Formula:

C22H32N6

Molecular Weight:

380.5297

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Product Description

Catalog Number:

AG008TEO

Chemical Name:

Bs-181

CAS Number:

1092443-52-1

Molecular Formula:

C22H32N6

Molecular Weight:

380.5297

MDL Number:

MFCD22056527

IUPAC Name:

5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

InChI:

InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)

InChI Key:

DNYBIOICMDTDAP-UHFFFAOYSA-N

SMILES:

NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C

UNII:

75M620LLBN

Properties

Complexity:

425

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

380.269g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

380.54g/mol

Monoisotopic Mass:

380.269g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
A novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration.	Journal of medicinal chemistry 20101223
The development of a selective cyclin-dependent kinase inhibitor that shows antitumor activity.	Cancer research 20090801

Properties