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LY2880070

CAT: 0931-T9252-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9252-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1375637-35-6
Target
Chk
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9995
Bioactivity
LY2880070 is a new checkpoint kinase 1 (CHK1) inhibitor for cancer therapy.
Smiles
O(C)C1=C(C2=CC(NC3=NC(O[C@@H]4CCCNC4)=CN=C3)=NN2)C=CC(C)=N1
Molecular Formula
C19H23N7O2
Molecular Weight
381.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ly-2880070

Chk1 Inhibitor LY2880070 is an orally bioavailable, selective, adenosine triphosphate (ATP)-competitive inhibitor of checkpoint kinase 1 (chk1), with potential antineoplastic and chemosensitization activities. Upon oral administration, chk1 inhibitor LY2880070 selectively binds to chk1, thereby preventing chk1 activity and abrogating the repair of damaged DNA. This may lead to an accumulation of damaged DNA, inhibition of cell cycle arrest, and induction of apoptosis. LY2880070 may potentiate the cytotoxicity of DNA-damaging agents and reverse tumor cell resistance to chemotherapeutic agents. Chk1, an ATP-dependent serine/threonine kinase overexpressed in a variety of cancer cell types, mediates cell cycle checkpoint control and is essential for DNA repair; it plays a key role in resistance to chemotherapeutic agents by repairing DNA damage.

CAS Number1375637-35-6
PubChem CID56968075
IUPAC NameN-[5-(2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]-6-[(3R)-piperidin-3-yl]oxypyrazin-2-amine
Molecular FormulaC19H23N7O2
Molecular Weight381.4
XLogP2
Topological Polar Surface Area110
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity485
SMILES
CC1=NC(=C(C=C1)C2=CC(=NN2)NC3=CN=CC(=N3)O[C@@H]4CCCNC4)OC
InChI
InChI=1S/C19H23N7O2/c1-12-5-6-14(19(22-12)27-2)15-8-16(26-25-15)23-17-10-21-11-18(24-17)28-13-4-3-7-20-9-13/h5-6,8,10-11,13,20H,3-4,7,9H2,1-2H3,(H2,23,24,25,26)/t13-/m1/s1
InChIKey
LAEFIEWPUJMANC-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Ly-2880070
CAS: 1375637-35-6
CID: 56968075
Formula: C19H23N7O2
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass381.19132300
Monoisotopic Mass381.19132300
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity485
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

Alternative Products

CatalogName
BUP03421-01LY2880070

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