CAS 949904-48-7

3-[(3-endo)-8-[2-[(Cyclohexylmethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]benzamide

Description:

The chemical substance known as "3-[(3-endo)-8-[2-[(Cyclohexylmethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]benzamide," with the CAS number 949904-48-7, is a complex organic compound characterized by its bicyclic structure and multiple functional groups. It features a bicyclo[3.2.1]octane core, which contributes to its rigidity and potential biological activity. The presence of a benzamide moiety suggests that it may interact with biological targets, possibly as a pharmaceutical agent. The compound also contains a cyclohexylmethyl group and a dihydroxy-1-oxopropyl side chain, indicating potential for hydrogen bonding and interactions with biological macromolecules. Its stereochemistry, particularly the (2S) configuration, may influence its pharmacological properties and interactions with receptors or enzymes. Overall, this compound's structural complexity and functional diversity suggest it may have significant implications in medicinal chemistry and drug development, although specific biological activities would require further investigation.

Formula: C₂₆H₃₉N₃O₄

InChI: InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1

InChI key: InChIKey=ATLYLVPZNWDJBW-KIHHCIJBSA-N

SMILES: C(CN(CC1CCCCC1)C([C@H](CO)O)=O)N2[C@]3(C[C@@H](C[C@@]2(CC3)[H])C4=CC(C(N)=O)=CC=C4)[H]

Synonyms:

• Axelopran
• 3-endo-(8-[2-[Cyclohexylmethyl-((S)-2,3-dihydroxy-propionyl)amino]ethyl]-8-aza-bicyclo[3.2.1]oct-3-yl)benzamide
• 3-[(3-endo)-8-[2-[(Cyclohexylmethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]benzamide
• TD 1211
• Benzamide, 3-[(3-endo)-8-[2-[(cyclohexylmethyl)[(2S)-2,3-dihydroxy-1-oxopropyl]amino]ethyl]-8-azabicyclo[3.2.1]oct-3-yl]-

Axelopran

CAS: 949904-48-7

Axelopran (TD-1211) treats opioid constipation; it's a potent, selective peripheral opioid blocker.

Formula: C₂₆H₃₉N₃O₄

Color and Shape: Solid

Molecular weight: 457.61

Ref: TM-T30236

3-[(1R,5S)-8-[2-[Cyclohexylmethyl(2,3-dihydroxypropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

CAS: 949904-48-7

3-[(1R,5S)-8-[2-[Cyclohexylmethyl(2,3-dihydroxypropanoyl)amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is a selective inhibitor that is synthesized for its pharmacological properties. This compound is typically derived through complex organic synthesis involving the modification of bicycle and benzamide frameworks to achieve specificity and potency in its action.

Formula: C₂₆H₃₉N₃O₄

Purity: Min. 95%

Molecular weight: 457.6 g/mol

Ref: 3D-ZMB90448