CAS 1256388-76-7

Methyl N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamate

Description:

Methyl N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamate, with CAS number 1256388-76-7, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carbamates and azabicyclic systems. This compound exhibits a high degree of stereochemistry, indicated by the presence of several chiral centers, which can influence its biological activity and interactions. The presence of difluoro and azabicyclic moieties suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its solubility, stability, and reactivity would depend on the specific functional groups and their arrangement within the molecule. Additionally, the compound's potential pharmacological properties would require thorough investigation through in vitro and in vivo studies to assess efficacy and safety profiles. Overall, this substance represents a significant interest in the field of drug discovery and development.

Formula: C₄₂H₄₃F₂N₇O₃

InChI: InChI=1S/C42H43F2N7O3/c1-21(2)35(50-40(53)54-3)39(52)51-20-41(12-13-41)18-34(51)37-45-19-33(49-37)24-6-10-28-27-9-5-22(15-29(27)42(43,44)30(28)16-24)23-7-11-31-32(17-23)48-38(47-31)36-25-4-8-26(14-25)46-36/h5-7,9-11,15-17,19,21,25-26,34-36,46H,4,8,12-14,18,20H2,1-3H3,(H,45,49)(H,47,48)(H,50,53)/t25-,26+,34-,35-,36-/m0/s1

InChI key: InChIKey=LYHMYBJXENKYJZ-WNLHWDLYSA-N

SMILES: C([C@@H](NC(OC)=O)C(C)C)(=O)N1CC2(C[C@H]1C=3NC(=CN3)C=4C=C5C(=CC4)C=6C(C5(F)F)=CC(=CC6)C=7C=C8C(=CC7)N=C(N8)[C@@H]9[C@@]%10(C[C@](N9)(CC%10)[H])[H])CC2

Synonyms:

• Methyl N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamate
• Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester
• N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-Azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester carbamic acid
• N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-Azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamic acid methyl ester
• N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-Azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamic
• N-[(1S)-1-[[(6S)-6-[5-[7-[2-(1R,3S,4S)-2-Azabicyclo[2.2.1]hept-3-yl-1H-benzimidazol-6-yl]-9,9-difluoro-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]carbamic acid methyl ester (N-2)