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CAS 106860-19-9

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1,1-Dimethylethyl (1S,9S)-9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate

Description:
1,1-Dimethylethyl (1S,9S)-9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate, with CAS number 106860-19-9, is a complex organic compound characterized by its multi-cyclic structure, which includes a pyridazine and diazepine moiety. This compound features a carboxylate functional group and an ethoxycarbonyl substituent, contributing to its potential reactivity and solubility properties. The presence of multiple chiral centers indicates that it may exist in various stereoisomeric forms, which can influence its biological activity and pharmacological profile. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its synthesis and characterization would typically involve advanced organic chemistry techniques, including chromatography and spectroscopy, to ensure purity and confirm structural integrity. Overall, this compound exemplifies the complexity often found in drug-like molecules, highlighting the interplay between structure and function in chemical biology.
Formula:C26H39N3O5
InChI:InChI=1S/C26H39N3O5/c1-5-33-24(31)21(16-15-19-11-7-6-8-12-19)27-20-13-9-17-28-18-10-14-22(29(28)23(20)30)25(32)34-26(2,3)4/h6-8,11-12,20-22,27H,5,9-10,13-18H2,1-4H3/t20-,21-,22-/m0/s1
InChI key:InChIKey=CXTCFWSSABFAEA-FKBYEOEOSA-N
SMILES:C(OC(C)(C)C)(=O)[C@H]1N2N(CCC1)CCC[C@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C2=O
Synonyms:
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S,9S)-
  • 1,1-Dimethylethyl (1S,9S)-9-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylate
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]octahydro-10-oxo-, 1,1-dimethylethyl ester, [1S-[1α,9α(R*)]]-
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