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DHX9-IN-17

CAT: 0931-T86198-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86198-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2973397-26-9
Target
DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
DHX9-IN-17 (186) serves as an inhibitor of the RNA helicase DHX9, demonstrating a target engagement EC50 value of 0.161 μM in cellular assays. It is utilized in cancer research [1].
Smiles
O(CC=1C=C(F)C=NC1)C2=C(N3C=C(C(NC4=CC(NS(C)(=O)=O)=CC(Cl)=C4)=O)C=N3)N=CC=C2
Molecular Formula
C22H18ClFN6O4S
Molecular Weight
516.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dhx9-IN-17
CAS Number2973397-26-9
PubChem CID169761790
IUPAC NameN-[3-chloro-5-(methanesulfonamido)phenyl]-1-[3-[(5-fluoro-3-pyridinyl)methoxy]-2-pyridinyl]pyrazole-4-carboxamide
Molecular FormulaC22H18ClFN6O4S
Molecular Weight516.9
XLogP2.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity820
SMILES
CS(=O)(=O)NC1=CC(=CC(=C1)NC(=O)C2=CN(N=C2)C3=C(C=CC=N3)OCC4=CC(=CN=C4)F)Cl
InChI
InChI=1S/C22H18ClFN6O4S/c1-35(32,33)29-19-7-16(23)6-18(8-19)28-22(31)15-10-27-30(12-15)21-20(3-2-4-26-21)34-13-14-5-17(24)11-25-9-14/h2-12,29H,13H2,1H3,(H,28,31)
InChIKey
TXIXFOKKJZCJSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dhx9-IN-17
CAS: 2973397-26-9
CID: 169761790
Formula: C22H18ClFN6O4S
MW: 516.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.9
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass516.0782801
Monoisotopic Mass516.0782801
Topological Polar Surface Area136 Ų
Heavy Atom Count35
Formal Charge0
Complexity820
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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