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KL-50

CAT: 0013-GTR19239229-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239229-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KL-50 is a selective small molecule that induces DNA damage and cell cycle arrest specifically in MGMT-deficient tumor cells. Its application is prominent in researching glioblastoma and other brain tumors, both in vitro and in vivo, due to the high frequency of MGMT deficiency in these cancers.
CAS Number
1161826-19-2
Field of Research
Cell Biology, Molecular Biology
Smiles
O=C (N) C=1N=CN2C (=O) N (N=NC12) CCF
Molecular Formula
C7H7FN6O2
Molecular Weight
226.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2-Fluoroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CAS Number1161826-19-2
PubChem CID44128812
IUPAC Name3-(2-fluoroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Molecular FormulaC7H7FN6O2
Molecular Weight226.17
XLogP-0.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity348
SMILES
C1=NC(=C2N1C(=O)N(N=N2)CCF)C(=O)N
InChI
InChI=1S/C7H7FN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)
InChIKey
RXJOSBAVDXNQEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Fluoroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CAS: 1161826-19-2
CID: 44128812
Formula: C7H7FN6O2
MW: 226.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.17
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass226.06145165
Monoisotopic Mass226.06145165
Topological Polar Surface Area106 Ų
Heavy Atom Count16
Formal Charge0
Complexity348
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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