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NVP-TNKS656

CAT: 0804-HY-13990-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13990-01Size:1 mg
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Description
NVP-TNKS656 is a highly potent, selective, and orally active TNKS2 inhibitor with IC50 of 6 nM, and is > 300 fold selectivity against PARP1 and PARP2.
CAS Number
1419949-20-4
Product Name Alternative
TNKS656
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; PARP
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/NVP-TNKS656.html
Purity
99.66
Solubility
DMSO : 35 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N(CC1CC1)CC2=NC3=C(COCC3)C(N2)=O)CN4CCC(C(C5=CC=C(OC)C=C5)=O)CC4
Molecular Formula
C27H34N4O5
Molecular Weight
494.58
Precautions
H302, H315, H319, H335
References & Citations
[1]Shultz MD, et al. Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor. J Med Chem. 2013 Aug 22;56 (16) :6495-511.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PARP2; TNKS2/PARP5B

Chemical Information

Nvp-tnks-656
CAS Number1419949-20-4
PubChem CID136237316
IUPAC NameN-(cyclopropylmethyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
Molecular FormulaC27H34N4O5
Molecular Weight494.6
XLogP1.1
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity911
SMILES
COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N(CC3CC3)CC4=NC5=C(COCC5)C(=O)N4
InChI
InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
InChIKey
DYGBNAYFDZEYBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nvp-tnks-656
CAS: 1419949-20-4
CID: 136237316
Formula: C27H34N4O5
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass494.25292020
Monoisotopic Mass494.25292020
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
UGC94920-01NVP-TNKS656

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