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YMU1

CAT: 0804-HY-129125-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129125-02Size:10 mg
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Description
YMU1 is a selective inhibitor of human thymidylate kinase (hTMPK) with an IC50 of 610 nM. YMU1 inhibits tumor proliferation[1][2].
CAS Number
902589-96-2
UNSPSC
12352005
Target
STAT
Type
Reference compound
Related Pathways
JAK/STAT Signaling; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ymu1.html
Purity
99.19
Solubility
DMSO : 5.56 mg/mL (ultrasonic; warming; heat to 70°C)
Smiles
O=C(N1CCN(C(CN2SC3=NC(C)=CC(C)=C3C2=O)=O)CC1)OCC
Molecular Formula
C17H22N4O4S
Molecular Weight
378.45
References & Citations
[1]Hu CM, et al. Tumor cells require thymidylate kinase to prevent dUTP incorporation during DNA repair. Cancer Cell. 2012 Jul 10;22 (1) :36-50.|[2]Fengqiang Yu, et al. Knockdown of DTYMK suppresses progression and EMT of lung adenocarcinoma 1 via STAT3 signaling. Europe PMC. 20 Mar 2023, 55 (5) :213-221.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
STAT3

Chemical Information

ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
CAS Number902589-96-2
PubChem CID49878590
IUPAC Nameethyl 4-[2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetyl]piperazine-1-carboxylate
Molecular FormulaC17H22N4O4S
Molecular Weight378.4
XLogP1.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity567
SMILES
CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(S2)N=C(C=C3C)C
InChI
InChI=1S/C17H22N4O4S/c1-4-25-17(24)20-7-5-19(6-8-20)13(22)10-21-16(23)14-11(2)9-12(3)18-15(14)26-21/h9H,4-8,10H2,1-3H3
InChIKey
XXUFNNVFZFVKGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
CAS: 902589-96-2
CID: 49878590
Formula: C17H22N4O4S
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass378.13617637
Monoisotopic Mass378.13617637
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity567
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

Alternative Products

CatalogName
574941YMU1
A22081-100YMU1 100mg
A22081-25YMU1 25mg
A22081-10YMU1 10mg
A22081-5YMU1 5mg
A22081-200YMU1 200mg
A22081-50YMU1 50mg
MBS5765020Thymidylate Kinase Inhibitor, YMU1

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