ART899

CAT: 0931-T201365-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T201365-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2607139-85-3

Target

DNA/RNA Synthesis

Related Pathways

DNA Damage/DNA Repair, Cell Cycle/Checkpoint

Bioactivity

ART899, a derivative of ART558, is a potent and specific conformational inhibitor of DNA polymerase θ (Polθ) . It specifically inhibits the MMEJ activity of Polθ with an IC50 of 180 nM. Additionally, ART899 selectively enhances the radiosensitivity of tumor cells and possesses a strong independent antitumor effect on cancer cells.

Smiles

C(N(C([2H])([2H])[2H])C1=CC(Cl)=C(F)C=C1)(=O)[C@H]2N(C(=O)[C@@H](O)[C@H]2O)C3=CC(C(F)(F)F)=CC(C)=N3

Molecular Formula

C19H16ClF4N3O4

Molecular Weight

464.81

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	2607139-85-3
PubChem CID	156069563
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 Formula	C19H16ClF4N3O4
Molecular Weight	464.8
XLogP	2.8
Topological Polar Surface Area	94
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	700

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

CAS: 2607139-85-3

CID: 156069563

Formula: C19H16ClF4N3O4

MW: 464.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	464.8
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	464.0953766
Monoisotopic Mass	464.0953766
Topological Polar Surface Area	94 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
Isotope Atom Count	3
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T201951-01	ART838
T40236-01	ART812

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Catalog	Name
C01966-25mg	ART899
A24284-5	ART899 5mg
A24284-100	ART899 100mg
A24284-50	ART899 50mg
A24284-10	ART899 10mg

ART899

Chemical Information

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