Basic information
- CAS
32542-16-8- Standard SMILES
CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C- InChIKey
AHTZIFIBNCSFEG-UHFFFAOYSA-N- Molecular formula
- C18H23NO3
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.1677936
Names & identifiers
- Preferred name
- ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- IUPAC
- ethyl 4-[(4-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
- English name
- 4-(4-Ethoxy-benzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
- Molecular formula
- C18H23NO3
- Molecular weight
- 301.38
Names & synonyms
ethyl 4-(4-ethoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate32542-16-84-(4-Ethoxy-benzyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterethyl 4-[(4-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylateDHOD Inhibitor, 5Oprea1_137491Oprea1_172147CBDivE_010586GNF-Pf-4706CHEMBL600689orb1737629SCHEMBL12541952
Show more names
DSM431H-Pyrrole-2-carboxylic acid, 4-[(4-ethoxyphenyl)methyl]-3,5-dimethyl-, ethyl ester
BDBM92606DTXSID80353728HMS1672J07STK835232AKOS000547963ST50004483US8703811, 6ethyl 4-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrrole-2-carboxylate
Database identifiers
- CAS
32542-16-8- PubChem CID
- 750102
- DTXSID
DTXSID80353728- ChEMBL
CHEMBL600689
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Chemistry & industry
Applications
DescriptionDSM43 is a dihydroorotate dehydrogenase (DHODH) inhibitor. Malaria puts at risk nearly half the world's population and causes high mortality in sub-Saharan Africa, while drug resistance threatens current therapies. The pyrimidine biosynthetic enzyme dihydroorotate dehydrogenase (DHODH) is a validated target for malaria treatmen
Suppliers3 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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