BAY-707 free base | CAS#2109805-96-9 | MTH1 inhibitor

MedKoo Cat#: 563699 | Name: BAY-707 free base

Featured

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.

Chemical Structure

BAY-707 free base

CAS#2109805-96-9 (free base)

Theoretical Analysis

MedKoo Cat#: 563699

Name: BAY-707 free base

CAS#: 2109805-96-9 (free base)

Chemical Formula: C15H20N4O2

Exact Mass: 288.1586

Molecular Weight: 288.35

Elemental Analysis: C, 62.48; H, 6.99; N, 19.43; O, 11.10

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 385.00	2 Weeks
25mg	USD 985.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

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

Synonym

BAY-707; BAY 707; BAY707; BAY-707 free base

IUPAC/Chemical Name

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

InChi Key

RPMGXDCRCWWCRY-JTQLQIEISA-N

InChi Code

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

SMILES Code

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

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BAY-707 is an inhibitor of MTH1(NUDT1) with an IC50 of 2.3 nM.

In vitro activity:

The growth inhibitory effects of BAY-707 were investigated on several human cancer cell lines. Unexpectedly, despite BAY-707 being potent and cellularly active, no antiproliferative effects were observed with BAY-707 up to 30 μM (Figure 2C, Table S2). These results suggest that MTH1 is not required for cancer cell survival. Reference: ACS Chem Biol. 2017 Aug 18;12(8):1986-1992. https://pubs.acs.org/doi/10.1021/acschembio.7b00370

In vivo activity:

To investigate the efficacy of MTH1 inhibition in vivo, the antitumor efficacy of BAY-707 was evaluated. Two distinct tumor models were selected to explore potential antitumor activity of MTH1 inhibition: the syngeneic CT26 colon adenocarcinoma model (Figure 4C,D) and the NCI-H460 nonsmall cell lung cancer xenograft (Figure 4E,F). In the CT26 animal model, while radiation therapy provided the anticipated suppression of tumor growth, BAY-707 failed to provide significant antitumor activity in monotherapy or additive effects when combined with radiation treatment. Similar results were obtained testing the potent MTH1 inhibitor in the NCI-H460 model (Figure 4E,F). Once again, BAY-707 failed to provide in vivo antitumor activity as evidenced by no significant decrease in tumor volume or tumor weight. Reference: ACS Chem Biol. 2017 Aug 18;12(8):1986-1992. https://pubs.acs.org/doi/10.1021/acschembio.7b00370

	Solvent	mg/mL	mM
Solubility
	DMSO	28.8	100.00
	Ethanol	2.9	10.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 288.35 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

Formulation protocol:

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. PMID: 28679043.

In vitro protocol:

In vivo protocol:

1: Rahm F, Viklund J, Trésaugues L, Ellermann M, Giese A, Ericsson U, Forsblom R, Ginman T, Günther J, Hallberg K, Lindström J, Persson LB, Silvander C, Talagas A, Díaz-Sáez L, Fedorov O, Huber KVM, Panagakou I, Siejka P, Gorjánácz M, Bauser M, Andersson M. Creation of a Novel Class of Potent and Selective MutT Homologue 1 (MTH1) Inhibitors Using Fragment-Based Screening and Structure-Based Drug Design. J Med Chem. 2018 Mar 22;61(6):2533-2551. doi: 10.1021/acs.jmedchem.7b01884. Epub 2018 Mar 7. PubMed PMID: 29485874. 2: 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.