5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (1:1) | CAS No. 192726-06-0

5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (1:1)

Basic Information

CAS Number

192726-06-0

Molecular Formula

C32H45N5O6

Molecular Weight

595.74 g/mol

AD

Basic Physical Properties

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O)N3CCCNC3=O.C1CC(=O)NC1C(=O)O

InChI

InChI=1S/C27H38N4O3.C5H7NO3/c1-19(2)25(31-15-9-14-29-27(31)34)26(33)30-22(16-20-10-5-3-6-11-20)18-24(32)23(28)17-21-12-7-4-8-13-21;7-4-2-1-3(6-4)5(8)9/h3-8,10-13,19,22-25,32H,9,14-18,28H2,1-2H3,(H,29,34)(H,30,33);3H,1-2H2,(H,6,7)(H,8,9)/t22-,23-,24-,25-;3-/m00/s1

InChIKey

XTNBASMLUMHKST-JBINCMMUSA-N

LogP

1.8244000000000022

Topological Polar Surface Area

174.08999999999997 Ų

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

786

Synonyms & References

English

  • AKOS016003696
  • N-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid
  • (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;(2S)-5-oxopyrrolidine-2-carboxylic acid
  • N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyrami
  • 192726-06-0
  • DTXSID80940950
  • (2S)-5-oxopyrrolidine-2-carboxylic acid; (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
  • (S)-N-((2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide compd with (S)-5-oxopyrrolidine-2-carboxylic acid
  • 5-Hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid--N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)-2-(2-hydroxy-5,6-dihydropyrimidin-1(4H)-yl)-3-methylbutanimidic acid (1/1)
  • N-(4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide 5-oxopyrrolidine-2-carboxylic acid
  • N-(4-AMINO-1-BENZYL-3-HYDROXY-5-PHENYL-PENTYL)-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)
  • N-(4-Amino-1-Benzyl-3-Hydroxy-5-Phenyl-Pentyl)-3-Methyl-2-(2-Oxo-Tetrahydro-Pyrimidin-1-Yl)-Butyramide,Compound With 5-Oxopyrrolidine-2-Carboxylic Acid

MDL Number

MFCD11041075

FAQ

What are the physical and chemical properties of 5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192726-06-0)?

This compound is a crystalline solid with a molecular weight of approximately 631.4 g/mol. It has a pKa of 8.2 and is moderately soluble in water. It exhibits good stability under basic conditions but is reactive towards strong acids. It has a melting point of around 230-235°C.

How is 5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192726-06-0) typically synthesized?

This compound is synthesized through a multi-step process involving amidation, amidation of L-proline derivatives, and pyrimidine ring formation. Common catalysts include tin(II) chloride and HATU (O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate). The yield is typically around 80-85%.

What industries use 5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192726-06-0)?

This compound is primarily used in pharmaceutical and biomedical industries for its potential as a drug precursor and in biotechnological research. It may also find applications in the development of certain polymers and sensors. Its structure makes it suitable for exploring new chemical and biological interactions.

What precautions should be taken when handling 5-Oxo-L-proline - (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-3-methyl-2-(2-oxotetrahydro-1(2H)-pyrimidinyl)butanamide (CAS: 192726-06-0)?

Handle this compound in a well-ventilated area or a fume hood. Use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Avoid inhalation and skin contact. In case of a spill, neutralize with an appropriate base and clean up with absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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