YMU1
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MedKoo CAT#: 574941

CAS#: 902589-96-2

Description: 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

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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
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1450.0 2 Weeks
500.0mg USD 2450.0 2 Weeks
1.0g USD 3450.0 2 Weeks
2.0g USD 5450.0 2 Weeks
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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

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

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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.

YMU1

25.0mg / USD 350.0