Nupafant

Substructure search Find similar structures

Basic information

CAS: 139133-27-0
Standard SMILES: CCOC[C@H](CC(C)C)N(C)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
InChIKey: GFUNPHNHBVCVHW-FQEVSTJZSA-N
Molecular formula: C23H32N4O3S
Average molar mass: 444.6 g/mol
Monoisotopic mass: 444.21951207

Overview

Nupafant is a small molecule drug. The usage of the INN stem '-pafant' in the name indicates that Nupafant is a platelet-activating factor antagonist. Nupafant has a monoisotopic molecular weight of 444.22 Da.

Names & identifiers

Preferred name: Nupafant
IUPAC: N-[(2S)-1-ethoxy-4-methylpentan-2-yl]-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
English name: Nupafant
Molecular formula: C23H32N4O3S
Molecular weight: 444.59

Names & synonyms

Nupafant02NKI0ARRJBB-960nupafantumRefChem:166966DTXCID4083424139133-27-0DTXSID20160933Nupafant [INN:BAN]UNII-02NKI0ARRJNUPAFANT [INN]SCHEMBL93886

Show more names

Benzenesulfonamide, N-[(1S)-1-(ethoxymethyl)-3-methylbutyl]-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]-

orb2815217CHEMBL3989445T202493Q27231534N-4-(1H-2-methylimidazo(4,5-c)pyridylmethyl)phenylsulfonyl-leucinyl ethyl etherBENZENESULFONAMIDE, N-((1S)-1-(ETHOXYMETHYL)-3-METHYLBUTYL)-N-METHYL-4-((2-METHYL-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)METHYL)-N-((S)-1-(ETHOXYMETHYL)-3-METHYLBUTYL)-N-METHYL-.ALPHA.-(2-METHYL-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)-P-TOLUENESULFONAMIDEN-((S)-1-(Ethoxymethyl)-3-methylbutyl-N-methyl-alpha-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)-p-toluenesulfonamide

Database identifiers

CAS: 139133-27-0
PubChem CID: 9846324
ChEMBL: CHEMBL3989445
UNII: 02NKI0ARRJ
Nikkaji: J615.846C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 85.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 31
Formal charge: 0
Complexity: 646

Physicochemical properties

Boiling point: 622.2 · 622.2±65.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
pka: 6.36 · 6.36±0.30(Predicted)
FDA UNII: 2 NKI0ARRJ · 02NKI0ARRJ

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…