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CAS 885275-71-8

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4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-4-pyridinyl-1H-1,4-diazepine-1-acetic acid

Description:
4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-4-pyridinyl-1H-1,4-diazepine-1-acetic acid, with CAS number 885275-71-8, is a chemical compound characterized by its complex structure, which includes a diazepine ring fused with a pyridine moiety. This compound features a carboxylic acid functional group, contributing to its potential acidity and reactivity. The presence of the 1,1-dimethylethoxycarbonyl group indicates that it has a bulky substituent, which may influence its solubility and steric properties. The hexahydro structure suggests that it is a saturated compound, likely contributing to its stability. This compound may exhibit biological activity, making it of interest in pharmaceutical research, particularly in the development of drugs targeting neurological or psychiatric conditions. Its specific interactions and mechanisms of action would depend on its conformation and the presence of functional groups that can engage in hydrogen bonding or other intermolecular interactions. Overall, this compound represents a unique scaffold for further exploration in medicinal chemistry.
Formula:C17H25N3O4
InChI:InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)20-10-4-9-19(11-12-20)14(15(21)22)13-5-7-18-8-6-13/h5-8,14H,4,9-12H2,1-3H3,(H,21,22)
InChI key:InChIKey=KXQHHNRJYINOQB-UHFFFAOYSA-N
SMILES:C(C(O)=O)(N1CCN(C(OC(C)(C)C)=O)CCC1)C=2C=CN=CC2
Synonyms:
  • 4-[(1,1-Dimethylethoxy)carbonyl]hexahydro-α-4-pyridinyl-1H-1,4-diazepine-1-acetic acid
  • 1H-1,4-Diazepine-1-acetic acid, 4-[(1,1-dimethylethoxy)carbonyl]hexahydro-α-4-pyridinyl-
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