BAY-707 is a substrate-competitive, highly potent and selective inhibitor of MTH1(NUDT1) with an IC50 of 2.3 nM. BAY-707 has a good pharmacokinetic (PK) profile to other MTH1 compounds and is well-tolerated in mice, but shows a clear lack of in vitro or in vivo anticancer efficacy。
| Canonical Smiles | CCNC(=O)C1=CC2=C(C=CN=C2N1)N3CCOCC3C |
|---|---|
| IUPAC Name | N-ethyl-4-[(3S)-3-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide |
| InChIKey | RPMGXDCRCWWCRY-JTQLQIEISA-N |
| 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 |
| Isomeric SMILES | CCNC(=O)C1=CC2=C(C=CN=C2N1)N3CCOC[C@@H]3C |
| PubChem CID | 129012086 |
| Molecular Weight | 288.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolopyridines |
| Alternative Parents | Pyridinecarboxamides Pyrrole carboxamides Dialkylarylamines 2-heteroaryl carboxamides Aminopyridines and derivatives Substituted pyrroles Morpholines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolopyridine - Pyridinecarboxamide - 2-heteroaryl carboxamide - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Aminopyridine - Substituted pyrrole - Pyridine - Oxazinane - Morpholine - Heteroaromatic compound - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 28.83, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.88, Max Conc. mM: 10 |
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