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NU1064 (dihydrochloride)

CAT: 0804-HY-129425Size: 1 EachDry Ice: NoHazardous: No
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Description
NU1064 (dihydrochloride) is an inhibitor of PARP. NU1064 (dihydrochloride) potentiates the cytotoxicity of DNA-methylating agent (MTIC) in a concentration-dependent manner[1].
CAS Number
63916-38-1
UNSPSC
12352005
Target
PARP
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Others
Smiles
O=C(C)OC1(CCN(CC1)CCCC)CC2=NC=CC=C2.Cl.Cl
Molecular Formula
C17H28Cl2N2O2
Molecular Weight
363.32
References & Citations
[1]Bowman, K. J., et al., (1998) . Potentiation of anti-cancer agent cytotoxicity by the potent poly (ADP-ribose) polymerase inhibitors NU1025 and NU1064. British journal of cancer, 78 (10), 1269-1277.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, acetate, dihydrochloride
CAS Number63916-38-1
PubChem CID3048598
IUPAC Name[1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-yl] acetate;dihydrochloride
Molecular FormulaC17H28Cl2N2O2
Molecular Weight363.3
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity325
SMILES
CCCCN1CCC(CC1)(CC2=CC=CC=N2)OC(=O)C.Cl.Cl
InChI
InChI=1S/C17H26N2O2.2ClH/c1-3-4-11-19-12-8-17(9-13-19,21-15(2)20)14-16-7-5-6-10-18-16;;/h5-7,10H,3-4,8-9,11-14H2,1-2H3;2*1H
InChIKey
VGWNCYGMSISHSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Piperidinol, 1-butyl-4-(2-pyridyl)methyl-, acetate, dihydrochloride
CAS: 63916-38-1
CID: 3048598
Formula: C17H28Cl2N2O2
MW: 363.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass362.1527835
Monoisotopic Mass362.1527835
Topological Polar Surface Area42.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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