MedKoo Cat#: 574941 | Name: YMU1
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

YMU1 is a human thymidylate kinase (hTMPK) inhibitor that lacks inhibitory effect on the activity of purified thymidine kinase 1 (TK1). YMU1 stabilizes the conformation of ligand-induced degradation (LID) region of hTMPK and blocks the catalytic site or ATP-binding site. Blocking hTMPK by YMU1 attenuates the ATP binding-induced closed conformation that is required for phosphorylation of dTMP and sensitizes cancer cells for low-dose doxorubicin chemotherapy.

Chemical Structure

YMU1
YMU1
CAS#902589-96-2

Theoretical Analysis

MedKoo Cat#: 574941

Name: YMU1

CAS#: 902589-96-2

Chemical Formula: C17H22N4O4S

Exact Mass: 378.1362

Molecular Weight: 378.45

Elemental Analysis: C, 53.95; H, 5.86; N, 14.80; O, 16.91; S, 8.47

Price and Availability

Size Price Availability Quantity
25mg USD 350.00 2 Weeks
50mg USD 550.00 2 Weeks
100mg USD 950.00 2 Weeks
200mg USD 1,450.00 2 Weeks
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Related CAS #
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Synonym
YMU1; YMU 1; YMU-1
IUPAC/Chemical Name
ethyl 4-(2-(4,6-dimethyl-3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)acetyl)piperazine-1-carboxylate
InChi Key
XXUFNNVFZFVKGP-UHFFFAOYSA-N
InChi Code
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
SMILES Code
O=C(N1CCN(C(CN2SC3=NC(C)=CC(C)=C3C2=O)=O)CC1)OCC
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 378.45 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. YH Chen et al. Chemical Inhibition of Human Thymidylate Kinase and Structural Insights into the Phosphate Binding Loop and Ligand-Induced Degradation. J Med Chem. 2016 Nov 10;59(21):9906-9918.