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949904-48-7

949904-48-7 Structure

949904-48-7 Structure
IdentificationBack Directory
[Name]

Ulixertinib
[CAS]

949904-48-7
[Synonyms]

3-endo-(8-{2-[cyclohexylmethyl-((S)-2,3-dihydroxy-propionyl)amino]ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)benzamide
3-((1R,3S,5S)-8-(2-((S)-N-(CYCLOHEXYLMETHYL)-2,3-DIHYDROXYPROPANAMIDO)ETHYL)-8-AZABICYCLO[3.2.1]OCTAN-3-YL)BENZAMIDE
Benzamide, 3-[(3-endo)-8-[2-[(cyclohexylmethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]-
[Molecular Formula]

C26H39N3O4
[MDL Number]

MFCD28502065
[MOL File]

949904-48-7.mol
[Molecular Weight]

457.62
Chemical PropertiesBack Directory
[Boiling point ]

685.0±55.0 °C(Predicted)
[density ]

1.195±0.06 g/cm3(Predicted)
[pka]

12.83±0.20(Predicted)
Hazard InformationBack Directory
[Uses]

Axelopran (TD-1211) is an opioid receptor antagonist with pKi values of 9.8, 8.8 and 9.9 for human recombinant μ and δ receptors and guinea pig κ receptor, respectively.
[IC 50]

guinea pig κ-opioid receptor: 9.9 (pKi); human μ-opioid receptor: 9.8 (pKi); δ Opioid Receptor/DOR: 8.8 (pKi)
[References]

[1] Tsuruda PR, et al., The in vitro pharmacological profile of TD-1211, a neutral opioid receptor antagonist. Naunyn Schmiedebergs Arch Pharmacol. 2013 Jun;386(6):479-91. DOI:10.1007/s00210-013-0850-7
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