Nerandomilast (CHEM135500)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-14 22:02:24 UTC | ||||||||
| Update Date | 2026-08-20 06:10:14 UTC | ||||||||
| Accession Number | CHEM135500 | ||||||||
| Identification | |||||||||
| Common Name | Nerandomilast | ||||||||
| Class | Small Molecule | ||||||||
| Description | Nerandomilast is an organic compound with the chemical formula C20H25ClN6O2S and an average molecular weight of 448.97 g/mol. Nerandomilast belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. In terms of its biological activity, the compound is recorded as an inhibitor of 3',5'-cyclic-AMP phosphodiesterase 4B (PDE4B). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H25ClN6O2S | ||||||||
| Average Molecular Mass | 448.970 g/mol | ||||||||
| Monoisotopic Mass | 448.145 g/mol | ||||||||
| CAS Registry Number | 1423719-30-5 | ||||||||
| IUPAC Name | (5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-4-{[1-(hydroxymethyl)cyclobutyl]amino}-5H,6H,7H-thieno[3,2-d]pyrimidin-5-ium-5-olate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | OCC1(CCC1)NC1=NC(=NC2=C1[S@+]([O-])CC2)N1CCC(CC1)C1=NC=C(Cl)C=N1 | ||||||||
| InChI Identifier | InChI=1S/C20H25ClN6O2S/c21-14-10-22-17(23-11-14)13-2-7-27(8-3-13)19-24-15-4-9-30(29)16(15)18(25-19)26-20(12-28)5-1-6-20/h10-11,13,28H,1-9,12H2,(H,24,25,26)/t30-/m1/s1 | ||||||||
| InChI Key | UHYCLWAANUGUMN-SSEXGKCCSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
