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TH1760

CAT: 0931-T67864-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T67864-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2567914-01-4
Target
Others, DNA/RNA Synthesis, NUDIX hydrolase
Related Pathways
Metabolism, DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Purity
0.9731
Bioactivity
TH1760 (MKB) is an inhibitor of NUDIX-type 15 (NUDT15, IC50= 25 nM) . TH1760 can sensitize cells to 6-thioguanine by increasing the accumulation of 6-thio- (d) GTP in nucleic acids. TH1760 can enhance the anti-leukemia effect of thiopurine.
Smiles
S(=O)(=O)(C=1C=C2C(=CC1)NC(=O)O2)N3CCN(C(=O)C=4C=C5C(=CC4)NC=C5)CC3
Molecular Formula
C20H18N4O5S
Molecular Weight
426.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-((4-(1H-Indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
CAS Number2567914-01-4
PubChem CID146048072
IUPAC Name6-[4-(1H-indole-5-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
Molecular FormulaC20H18N4O5S
Molecular Weight426.4
XLogP1.3
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity792
SMILES
C1CN(CCN1C(=O)C2=CC3=C(C=C2)NC=C3)S(=O)(=O)C4=CC5=C(C=C4)NC(=O)O5
InChI
InChI=1S/C20H18N4O5S/c25-19(14-1-3-16-13(11-14)5-6-21-16)23-7-9-24(10-8-23)30(27,28)15-2-4-17-18(12-15)29-20(26)22-17/h1-6,11-12,21H,7-10H2,(H,22,26)
InChIKey
HNCVDRFFJZJQRW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-((4-(1H-Indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one
CAS: 2567914-01-4
CID: 146048072
Formula: C20H18N4O5S
MW: 426.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.09979086
Monoisotopic Mass426.09979086
Topological Polar Surface Area120 Ų
Heavy Atom Count30
Formal Charge0
Complexity792
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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