ChemicalBook--->CAS DataBase List--->902589-96-2

902589-96-2

902589-96-2 Structure

902589-96-2 Structure
IdentificationBack Directory
[Name]

Ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
[CAS]

902589-96-2
[Synonyms]

YMU1
Thymidylate Kinase Inhibitor, YMU1
Thymidylate Kinase Inhibitor, YMU1 - CAS 902589-96-2 - Calbiochem
Ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
4-[2-(4,6-Dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl]-1-piperazinecarboxylic acid ethyl ester
1-Piperazinecarboxylic acid, 4-[2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl]-, ethyl ester
[Molecular Formula]

C17H22N4O4S
[MDL Number]

MFCD27952931
[MOL File]

902589-96-2.mol
[Molecular Weight]

378.45
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble1mg/mL, clear (warmed)
[form ]

White solid
[color ]

white to light brown
[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
[SMILES]

[s]1[n]([c](c3c1nc(cc3C)C)=O)CC(=O)N2CCN(CC2)C(=O)OCC
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

YMU1 is a potent, reversible, and ATP-competitive inhibitor of human Thymidylate kinase (TMPK).
[Biological Activity]

YMU1 is a cell-permeable and nontoxic inhibitor of hTMPK (thymidylate kinase) th at sensitizes tumor cells to doxorubicin in vitro and in vivo.
[in vivo]

YMU1 (5 mg/kg, intraperitoneal injection, three times a week, for 25 days) and doxorubicin co-administered to mice inhibits tumor growth[1].
YMU1 (3-10 mg/kg, intraperitoneal injection, once every two days, for 30 days) inhibits the growth of A549 xenograft tumors in mice[2].

Animal Model:HCT-116 p53-/- cell transplantation model in nude mice[1]
Dosage:5 mg/kg; 3 times a week; 25 days
Administration:Intraperitoneal injection (i.p.)
Result:Showed that tumors grew significantly slower in mice treated with doxorubicin.
Animal Model:A549 nude mouse transplantation model[2]
Dosage:3,10 mg/kg; once every two days; 30 days
Administration:Intraperitoneal injection (i.p.)
Result:Reduced tumor volume and weight in a dose-dependent manner.
[IC 50]

STAT3
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