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ATR-IN-24

CAT: 0804-HY-153462Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-153462Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ATR-IN-24 (Compound 1) is a ATR inhibitor. ATR-IN-24 has anticancer activity[1].
CAS Number
2370889-43-1
UNSPSC
12352005
Target
ATM/ATR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/atr-in-24.html
Solubility
10 mM in DMSO
Smiles
OCC1=CC(C2=NC(N3[C@@H](COCC3)C)=CC(C4=C(C=NN4C)C)=N2)=C5C(NC=C5)=C1
Molecular Formula
C23H26N6O2
Molecular Weight
418.49
References & Citations
[1]Wang Jian, et al. Crystalline form of ATR inhibitor and use thereof. Patent. WO2021023272.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Atr-IN-24
CAS Number2370889-43-1
PubChem CID139406168
IUPAC Name[4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol
Molecular FormulaC23H26N6O2
Molecular Weight418.5
XLogP2
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity611
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)C3=C(C=NN3C)C)C4=C5C=CNC5=CC(=C4)CO
InChI
InChI=1S/C23H26N6O2/c1-14-11-25-28(3)22(14)20-10-21(29-6-7-31-13-15(29)2)27-23(26-20)18-8-16(12-30)9-19-17(18)4-5-24-19/h4-5,8-11,15,24,30H,6-7,12-13H2,1-3H3/t15-/m1/s1
InChIKey
QVWFPOTZGKGNIG-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Atr-IN-24
CAS: 2370889-43-1
CID: 139406168
Formula: C23H26N6O2
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass418.21172409
Monoisotopic Mass418.21172409
Topological Polar Surface Area92.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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