Products for Research Use Only
RegisterLogin

ART899

CAT: 0957-E1939-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0957-E1939-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ART899, a derivative of ART558 is a potent, specific allosteric inhibitor of DNA polymerase theta (Polθ), specifically inhibits Polθ MMEJ activity with IC50 of 180 nM. It specifically radiosensitizes tumor cells and have a potent stand-alone antitumor effect in cancer cells.
CAS Number
2607139-85-3
Target
DNA/RNA Synthesis
Activity
Cell Cycle
Molecular Formula
C19H13ClD3F4N3O4

Chemical Information

(2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxo-N-(trideuteriomethyl)pyrrolidine-2-carboxamide
CAS Number2607139-85-3
PubChem CID156069563
IUPAC Name(2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxo-N-(trideuteriomethyl)pyrrolidine-2-carboxamide
Molecular FormulaC19H16ClF4N3O4
Molecular Weight464.8
XLogP2.8
Topological Polar Surface Area94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity700
SMILES
[2H]C([2H])([2H])N(C1=CC(=C(C=C1)F)Cl)C(=O)[C@@H]2[C@@H]([C@@H](C(=O)N2C3=NC(=CC(=C3)C(F)(F)F)C)O)O
InChI
InChI=1S/C19H16ClF4N3O4/c1-8-5-9(19(22,23)24)6-13(25-8)27-14(15(28)16(29)18(27)31)17(30)26(2)10-3-4-12(21)11(20)7-10/h3-7,14-16,28-29H,1-2H3/t14-,15-,16-/m0/s1/i2D3
InChIKey
YJJOABOMFPGRED-YQCADYNBSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxo-N-(trideuteriomethyl)pyrrolidine-2-carboxamide
CAS: 2607139-85-3
CID: 156069563
Formula: C19H16ClF4N3O4
MW: 464.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.8
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass464.0953766
Monoisotopic Mass464.0953766
Topological Polar Surface Area94 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
Isotope Atom Count3
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
E1529-100mgART812
E1529-01ART812
E1529-10mM/1mLART812
E1529-1gART812
E1529-25mgART812
E1529-5mgART812

Alternative Products

CatalogName
C01966-25mgART899
A24284-5ART899 5mg
A24284-100ART899 100mg
A24284-50ART899 50mg
A24284-10ART899 10mg

Popular Products