(1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid | CAS No. 90139-06-3

(1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid

Basic Information

CAS Number

90139-06-3

Molecular Formula

C20H27N3O5

Molecular Weight

389.45 g/mol

AD

Basic Physical Properties

Melting Point

150-160°C

Specific Rotation

D20 -74.7° (c = 0.5 in 1M NaOH)

C1CC(C(=O)N2C(CCCN2C1)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H27N3O5/c24-18-15(8-4-12-22-13-5-9-17(20(27)28)23(18)22)21-16(19(25)26)11-10-14-6-2-1-3-7-14/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,25,26)(H,27,28)/t15-,16-,17-/m0/s1

InChIKey

UVAUYSRYXACKSC-ULQDDVLXSA-N

LogP

1.117000000000001

Topological Polar Surface Area

110.17999999999999 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

578

Synonyms & References

English

  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylicacid, 9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-, (1S,9S)-
  • RO-31-3113
  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-[[(1S)-1-carboxy-3-phenylpropyl]amino]octahydro-10-oxo-
  • N-((1S,9S)-1-CARBOXY-10-OXOPERHYDROPYRIDAZINO-(1,2-.ALPHA.)(1,2)DIAZEPIN-9-YL)-4-PHENYL-L-HOMOALANINE
  • Cilazaprilat
  • (1S,9S)-9-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid
  • CILAZAPRILAT [INN]
  • (4S,7S)-7-[[(1S)-1-carboxy-3-phenylpropyl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
  • CILAZAPRIL DIACID [MI]
  • CHEBI:81005
  • Cilazaprilatum [Latin]
  • (1S,9S)-9-[[(S)-1-carboxy-3-phenylpropyl]amino]-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
  • Q27076049
  • Ro 31-3113
  • CHEMBL2104578
  • C17309
  • DB15565
  • (1S,9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4,6,7,8,9,10-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
  • Cilazaprilate [French]
  • NS00125821
  • Ro-313113
  • AKOS030243014
  • (1S,9S)-9-((S)-1-carboxy-3-phenylpropylamino)-10-oxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
  • GTPL6461
  • WBL76FH528
  • N-((1S,9S)-1-Carboxy-10-oxoperhydropyridazino-(1,2-alpha)(1,2)diazepin-9-yl)-4-phenyl-L-homoalanine
  • Cilazaprilatum
  • (1S,9S)-9-[[(1S)-1-Carboxy-3-phenylpropyl]amino]octahydro-10-oxo-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic Acid
  • 3-(4-Benzyloxyphenyl)isoxazole-5-carbaldehyde
  • SCHEMBL906169
  • Cilazaprilat [INN:BAN]

MDL Number

MFCD00865784

FAQ

What is (1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid (CAS: 90139-06-3)?

This compound is a complex organic molecule with a unique structure, including a pyridazino[1,2-a][1,2]diazepine core with additional functional groups such as amino and carboxylic acid. It is a research chemical with potential applications in medicinal chemistry and drug development.

What are the main uses of (1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid (CAS: 90139-06-3)?

The compound is primarily used in the research and development of new drugs, particularly in the investigation of potential therapeutic agents for neurological and psychiatric conditions. It may also be utilized as a tool compound in biological and pharmacological studies.

Is (1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid (CAS: 90139-06-3) safe?

Safety depends on usage context. This compound is generally safe when used under controlled laboratory conditions and with appropriate handling procedures. However, it should be handled with caution due to its chemical complexity and potential reactivity. Adequate protective gear and safety protocols are recommended.

How should (1S,9S)-9-{[(1S)-1-Carboxy-3-phenylpropyl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid (CAS: 90139-06-3) be stored?

Store in a tightly sealed container at room temperature (15-25°C), away from direct sunlight and moisture. Maintain a relative humidity below 60% and ensure good ventilation. Do not expose to extreme temperatures or prolonged heat. Avoid contact with incompatible materials and keep out of reach of children and unauthorized personnel.

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