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Olomoucine II

CAT: 0804-HY-112450Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112450Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Olomoucine II is a potent CDK inhibitor with IC50 values of 0.06, 0.1, 0.45, 7.6, 19.8 µM for CDK9/cyclin T, CDK2/cyclin E, CDK7/cyclin H, CDK1/cyclin B, CDK4/cyclin D1, respectively. Olomoucine II shows antiproliferative activity[1].
CAS Number
500735-47-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
CDK
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/olomoucine-ii.html
Smiles
OC1=CC=CC=C1CNC2=C3N=CN(C(C)C)C3=NC(N[C@@H](CO)CC)=N2
Molecular Formula
C19H26N6O2
Molecular Weight
370.45
Precautions
P264-P270-P280-P302+P352-P330-P362+P364-P501
References & Citations
[1]Krystof V, et al. Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor. Cell Mol Life Sci. 2005 Aug;62 (15) :1763-71.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CDK1; CDK2; CDK4; CDK7; CDK9

Chemical Information

Olomoucine Ii

structure in first source

CAS Number500735-47-7
PubChem CID5494414
IUPAC Name2-[[[2-[[(2R)-1-hydroxybutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
Molecular FormulaC19H26N6O2
Molecular Weight370.4
XLogP2.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity454
SMILES
CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3O
InChI
InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
InChIKey
NDUVSANREQEDRE-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Olomoucine Ii
CAS: 500735-47-7
CID: 5494414
Formula: C19H26N6O2
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass370.21172409
Monoisotopic Mass370.21172409
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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