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ATM Inhibitor-11

CAT: 0931-T201457-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201457-01Size:10 mg
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CAS Number
2878473-51-7
Target
ATM/ATR
Related Pathways
PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair
Bioactivity
ATMInhibitor-11 (Compound 1) is an inhibitor of ATM with an IC50 of 0.32 nM. It also inhibits KAP1 phosphorylation with an IC50 of 0.97 nM. This compound exhibits high exposure in the brain, heart, and plasma of ICR mice. Furthermore, ATMInhibitor-11 demonstrates antitumor activity in the NCI-H441 xenograft mouse model.
Smiles
O=C1N(C=2C=NC=3C=C(F)C(=CC3C2N1C(C)C)C=4C=NC(OCCCN5CCN(C)CC5)=CC4)C
Molecular Formula
C27H33FN6O2
Molecular Weight
492.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CAS Number2878473-51-7
PubChem CID176419312
IUPAC Name7-fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
Molecular FormulaC27H33FN6O2
Molecular Weight492.6
XLogP3.2
Topological Polar Surface Area65
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity750
SMILES
CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCN(CC5)C)F)N(C1=O)C
InChI
InChI=1S/C27H33FN6O2/c1-18(2)34-26-21-14-20(22(28)15-23(21)29-17-24(26)32(4)27(34)35)19-6-7-25(30-16-19)36-13-5-8-33-11-9-31(3)10-12-33/h6-7,14-18H,5,8-13H2,1-4H3
InChIKey
SQIJLAXFXXTLQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CAS: 2878473-51-7
CID: 176419312
Formula: C27H33FN6O2
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass492.26490248
Monoisotopic Mass492.26490248
Topological Polar Surface Area65 Ų
Heavy Atom Count36
Formal Charge0
Complexity750
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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