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PNP-ADPr

CAT: 0804-HY-134354Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-134354Size:1 Each
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Description
PNP-ADPr is a colorimetric substrate that used for the first continuous Poly (ADP-ribose) glycohydrolase (PARG) and ADP-ribosyl hydrolase 3 (ARH3) activity assays. pNP-ADPr can be used for the research of poly (ADP-ribose) polymerase (PARP) enzymes[1][2].
CAS Number
939028-75-8
Product Name Alternative
ADP-ribose-pNP
UNSPSC
12352005
Target
Poly (ADP-ribose) Glycohydrolase (PARG)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/pnp-adpr.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@@H](O)[C@H](N2C3=NC=NC(N)=C3N=C2)O[C@@H]1COP(OP(OC[C@@H]4[C@@H](O)[C@@H](O)[C@H](OC5=CC=C([N+]([O-])=O)C=C5)O4)(O)=O)(O)=O
Molecular Formula
C21H26N6O16P2
Molecular Weight
680.41
References & Citations
[1]Drown BS, et al. Monitoring Poly (ADP-ribosyl) glycohydrolase Activity with a Continuous Fluorescent Substrate. Cell Chem Biol. 2018;25 (12) :1562-1570.e19.|[2]Nottbohm AC, et al. A colorimetric substrate for poly (ADP-ribose) polymerase-1, VPARP, and tankyrase-1. Angew Chem Int Ed Engl. 2007;46 (12) :2066-2069.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 154706069
CAS Number939028-75-8
PubChem CID154706069
IUPAC Name(4-nitrophenyl) (2R,3R,4R)-2-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxy-3,4,5-trihydroxypentanoate
Molecular FormulaC21H26N6O17P2
Molecular Weight696.4
XLogP-4.7
Topological Polar Surface Area354
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity1160
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)OP(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O)OP(=O)(O)O
InChI
InChI=1S/C21H26N6O17P2/c22-18-13-19(24-7-23-18)26(8-25-13)20-16(32)15(31)12(42-20)6-40-46(39,44-45(36,37)38)43-17(14(30)11(29)5-28)21(33)41-10-3-1-9(2-4-10)27(34)35/h1-4,7-8,11-12,14-17,20,28-32H,5-6H2,(H2,22,23,24)(H2,36,37,38)/t11-,12-,14-,15-,16-,17-,20-,46?/m1/s1
InChIKey
RCULIYXBWRLLMU-GFIYZJRMSA-N
Chemical Structure
2D Structure
2D structure of CID 154706069
CAS: 939028-75-8
CID: 154706069
Formula: C21H26N6O17P2
MW: 696.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight696.4
XLogP3-4.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count21
Rotatable Bond Count14
Exact Mass696.08296738
Monoisotopic Mass696.08296738
Topological Polar Surface Area354 Ų
Heavy Atom Count46
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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