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ZL-2201

CAT: 0013-GTR19231029-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231029-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZL-2201 is a highly potent and selective DNA-PK inhibitor with an IC50 of 1 nM. It is a valuable research tool for studying DNA damage response and has been utilized in both in vitro and in vivo models to investigate cancer biology and potential therapeutic strategies.
CAS Number
2865115-39-3
Field of Research
Molecular Biology, Signal Transduction
Smiles
S (C) (=O) (=O) O.O=C1N (C=2C (N1C) =CN=C (NC3=CN4C (C=C3C) =NC=N4) N2) N5CC6OC (C5) CC6
Molecular Formula
C20H25N9O5S
Molecular Weight
503.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methanesulfonic acid;7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one
CAS Number2865115-39-3
PubChem CID168510542
IUPAC Namemethanesulfonic acid;7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one
Molecular FormulaC20H25N9O5S
Molecular Weight503.5
Topological Polar Surface Area167
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity763
SMILES
CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)N5CC6CCC(C5)O6.CS(=O)(=O)O
InChI
InChI=1S/C19H21N9O2.CH4O3S/c1-11-5-16-21-10-22-27(16)9-14(11)23-18-20-6-15-17(24-18)28(19(29)25(15)2)26-7-12-3-4-13(8-26)30-12;1-5(2,3)4/h5-6,9-10,12-13H,3-4,7-8H2,1-2H3,(H,20,23,24);1H3,(H,2,3,4)
InChIKey
QOZPGMSTIBTSIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methanesulfonic acid;7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one
CAS: 2865115-39-3
CID: 168510542
Formula: C20H25N9O5S
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass503.16993611
Monoisotopic Mass503.16993611
Topological Polar Surface Area167 Ų
Heavy Atom Count35
Formal Charge0
Complexity763
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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