BAY-707 free base
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MedKoo CAT#: 563699

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

Description: BAY-707 is a substrate-competitive, highly potent and selective inhibitor of MTH1.

Chemical Structure

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BAY-707 free base
CAS# 2109805-96-9 (free base)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 563699
Name: BAY-707 free base
CAS#: 2109805-96-9 (free base)
Chemical Formula: C15H20N4O2
Exact Mass: 288.16
Molecular Weight: 288.350
Elemental Analysis: C, 62.48; H, 6.99; N, 19.43; O, 11.10

Price and Availability

Size Price Availability Quantity
5mg USD 285 2 Weeks
25mg USD 950 2 Weeks
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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

Solubility Data

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

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.

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
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: 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 vivo 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.

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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.