BAY-707 acetate| CAS#2223023-19-4 | MTH1 inhibitor

MedKoo Cat#: 584101 | Name: BAY-707 acetate

Description:

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

BAY-707 is a substrate-competitive, highly potent and selective inhibitor of MTH1. Despite superior cellular target engagement and pharmacokinetic properties, inhibition of MTH1 with BAY-707 resulted in a clear lack of in vitro or in vivo anticancer efficacy either in mono- or in combination therapies.

Chemical Structure

BAY-707 acetate

CAS#2223023-19-4 (acetate)

Theoretical Analysis

MedKoo Cat#: 584101

Name: BAY-707 acetate

CAS#: 2223023-19-4 (acetate)

Chemical Formula: C17H24N4O4

Exact Mass: 288.1586

Molecular Weight: 348.18

Elemental Analysis: C, 58.61; H, 6.94; N, 16.08; O, 18.37

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

2223023-19-4 (acetate) 2109805-96-9 (free base)

Synonym

BAY-707; BAY 707; BAY707; BAY-707 acetate

IUPAC/Chemical Name

N-Ethyl-4-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide acetic acid

InChi Key

GRPQNJVOXMDYLO-PPHPATTJSA-N

InChi Code

InChI=1S/C15H20N4O2.C2H4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2;1-2(3)4/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18);1H3,(H,3,4)/t10-;/m0./s1

SMILES Code

O=C(C1=CC2=C(N3[C@@H](C)COCC3)C=CN=C2N1)NCC.CC(O)=O

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

>2 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

MTH1 is a hydrolase responsible for sanitization of oxidized purine nucleoside triphosphates to prevent their incorporation into replicating DNA. Early tool compounds published in the literature inhibited the enzymatic activity of MTH1 and subsequently induced cancer cell death; however recent studies have questioned the reported link between these two events. Therefore, it is important to validate MTH1 as a cancer dependency with high quality chemical probes.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 348.18 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.

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: Ellermann M, Eheim A, Rahm F, Viklund J, Guenther J, Andersson M, Ericsson U, Forsblom R, Ginman T, Lindström J, Silvander C, Trésaugues L, Giese A, Bunse S, Neuhaus R, Weiske J, Quanz M, Glasauer A, Nowak-Reppel K, Bader B, Irlbacher H, Meyer H, Queisser N, Bauser M, Haegebarth A, Gorjánácz M. Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target. ACS Chem Biol. 2017 Aug 18;12(8):1986-1992. doi: 10.1021/acschembio.7b00370. Epub 2017 Jul 12. PubMed PMID: 28679043.