Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-

HCID 11675994

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Basic information

CAS: 881413-29-2
Standard SMILES: CCS(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2CC1CCC(F)(F)CC1
InChIKey: ZAGGGZCIFUQHOH-UHFFFAOYSA-N
Molecular formula: C20H29F2N3O2S
Average molar mass: 413.5 g/mol
Monoisotopic mass: 413.19485461

Names & identifiers

Preferred name: Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
IUPAC: N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide
English name: AZD-1940
Molecular formula: C20H29F2N3O2S
Molecular weight: 413.52

Names & synonyms

AZD1940881413-29-2AZD-1940Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamideCHEMBL45502360J0035E9FTN-{2-tert-Butyl-1-[(4,4-difluorocyclohexyl)methyl]-1H-benzimidazol-5-yl}ethanesulfonamideUNII-0J0035E9FTEthanesulfonamide, N-[1-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl]-SCHEMBL583386orb1698237

Show more names

ART-27.13NMD-1940AZD1940, 10 mM in DMSO

C20H29F2N3O2SGTPL12754AZD 1940 [WHO-DD]DTXSID701114855GLXC-22566ART-2713EX-A4665NEO-1940

Database identifiers

CAS: 881413-29-2
PubChem CID: 11675994
DTXSID: DTXSID701114855
ChEMBL: CHEMBL4550236
UNII: 0J0035E9FT

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 72.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 635

Physicochemical properties

Boiling point: 548 · 548.0±48.0 °C(Predicted)
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: 100 mg/mL · DMSO : 100 mg/mL (241.83 mM; Need ultrasonic)
pka: 5.06 · 5.06±0.30(Predicted)
form: Solid
color: White to off-white
FDA UNII: 0 J0035E9FT · 0J0035E9FT

Chemistry & industry

Applications

UsesAZD1940 is an orally active, high affinity cannabinoid CB1/CB2 receptor agonist with pKi values of 7.93 and 9.06 for human CB1R and CB2R, respectively. AZD1940 shows a robust analgesia action[1][2].