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ART0380

CAT: 0013-GTR19235592-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235592-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ART0380 is a potent, orally bioavailable, and ATP-competitive inhibitor of ATR kinase (IC50=51.7 nM) . It is a research compound for studying cancers with ATM deficiencies, demonstrating antitumor activity in both cellular assays and in vivo models.
CAS Number
2267316-76-5
Product Name Alternative
ART 0380, IACS030380, IACS-030380
Field of Research
Molecular Biology, Signal Transduction
Purity
99.06% (May vary between batches)
Smiles
C[C@H]1N (C2=NC (=NC (N=S (C) (=O) C3CC3) =C2) C=4C=C (N) N=CC4) CCOC1
Molecular Formula
C18H24N6O2S
Molecular Weight
388.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CAS Number2267316-76-5
PubChem CID137417724
IUPAC Name4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
Molecular FormulaC18H24N6O2S
Molecular Weight388.5
XLogP1.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity635
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)N=S(=O)(C)C3CC3)C4=CC(=NC=C4)N
InChI
InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27?/m1/s1
InChIKey
JHPDHYAMSPMBIF-ZJGDTTMNSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[(cyclopropyl-methyl-oxo-lambda6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyridin-2-amine
CAS: 2267316-76-5
CID: 137417724
Formula: C18H24N6O2S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass388.16814520
Monoisotopic Mass388.16814520
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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