SML2348
BAY-707
≥98% (HPLC)
Synonym(s):
(S)-N-Ethyl-4-(3-methylmorpholino)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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About This Item
Empirical Formula (Hill Notation):
C15H20N4O2
CAS Number:
Molecular Weight:
288.34
UNSPSC Code:
12352200
NACRES:
NA.21
Product Name
BAY-707, ≥98% (HPLC)
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
InChI key
RPMGXDCRCWWCRY-JTQLQIEISA-N
SMILES string
O=C(NCC)C1=CC2=C(N1)N=CC=C2N3CCOC[C@@H]3C
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
Biochem/physiol Actions
BAY-707 is an inhibitor of the human 7,8-dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1), which hydrolyzes oxidized purine nucleoside triphosphates that might otherwise be incorporated into DNA/RNA and contribute to DNA damage. BAY-707 was shown to be a substrate-competitive, selective MTH1 inhibitor with an IC50 value of 2.3 nM.
Inhibitor of the human 7,8-dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Manuel Ellermann et al.
ACS chemical biology, 12(8), 1986-1992 (2017-07-06)
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
Fredrik Rahm et al.
Journal of medicinal chemistry, 61(6), 2533-2551 (2018-02-28)
Recent literature has both suggested and questioned MTH1 as a novel cancer target. BAY-707 was just published as a target validation small molecule probe for assessing the effects of pharmacological inhibition of MTH1 on tumor cell survival, both in vitro
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