CAS 709031-43-6: tert-Butyl [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate

Description: Tert-Butyl [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate, with CAS number 709031-43-6, is a complex organic compound characterized by its unique bicyclic structure and functional groups. It features a tert-butyl group, which contributes to its hydrophobic properties, and a carbamate moiety that can influence its reactivity and solubility. The presence of a cyano group and a hydroxyl group suggests potential for hydrogen bonding and interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (1S) and (3S,5S) designations implies specific spatial arrangements of atoms, which can significantly affect the compound's biological activity and pharmacokinetics. This compound may exhibit properties such as moderate to high stability under standard conditions, and its solubility can vary depending on the solvent used. Overall, its intricate structure and functional groups suggest potential applications in drug development and other chemical research areas.

Formula: C₂₃H₃₃N₃O₄

InChI: InChI=1/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)/t13?,14?,15-,16+,17+,18-,22?,23?/m1/s1

InChI key: InChIKey=DZEAFYQJPRVNIQ-FPXKHEBGSA-N

SMILES: N#CC1N(C(=O)C(NC(=O)OC(C)(C)C)C23CC4CC(CC(O)(C4)C2)C3)C5CC5C1

Synonyms:

• Boc-saxagliptin
• Carbamic acid, N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.1^3,7]dec-1-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
• Carbamic acid, [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.1^3,7]dec-1-yl)-2-oxoethyl]-, 1,1-dimethylethyl ester
• N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamic acid 1,1-dimethylethyl ester
• Saxagliptin Intermediate 4
• tert-Butyl [(1S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxytricyclo[3.3.1.1^3,7]decan-1-yl)-2-oxoethyl]carbamate

N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamic acid 1,1-dimethylethyl ester

CAS: 709031-43-6

• Formula: C₂₃H₃₃N₃O₄
• Purity: 95%
• Molecular weight: 415.5258

Saxagliptin Impurity 16

CAS: 709031-43-6

• Formula: C₂₃H₃₃N₃O₄
• Molecular weight: 415.53

tert-Butyl [(1S)-2-((1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl)-1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-2-oxoethyl]carbamate

CAS: 709031-43-6

• Formula: C₂₃H₃₃N₃O₄
• Color and Shape: Neat
• Molecular weight: 415.5258

Boc-Saxagliptin

CAS: 709031-43-6

Applications Boc-Saxagliptin is a Saxagliptin (S143500) impurity, a potent and selective reversible inhibitor of dipeptidyl …

• Formula: C₂₃H₃₃N₃O₄
• Color and Shape: Neat
• Molecular weight: 415.5258

N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-2-oxoethyl]carbamic acid 1,1- dimethylethyl ester

CAS: 709031-43-6

Please enquire for more information about N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-2-oxoethyl]carbamic acid 1,1- dimethylethyl ester including the price, delivery …

• Formula: C₂₃H₃₃N₃O₄
• Purity: Min. 95%
• Molecular weight: 415.5 g/mol