Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) | CAS No. 1369773-39-6

Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate)

Basic Information

CAS Number

1369773-39-6

Molecular Formula

C48H56CaN2O10

Molecular Weight

861.04 g/mol

AD

Basic Physical Properties

[Ca+2].CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)[O-].CCOC(=O)[C@@H](C)C[C@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1

InChIKey

DDLCKLBRBPYKQS-OXXXZDCLSA-L

LogP

5.78240

Complexity

550

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • AHU-377 (heMicalciuM salt)
  • (2S,4R)-5-(Biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2-methylpentanoic acid ethyl ester,calcium salt(2:1)
  • (alphaR,gammaS)-gamma-[(3-Carboxy-1-oxopropyl)amino]-alpha-methyl-[1,1'-biphenyl]-4-pentanoic acid 4-ethyl ester calcium salt (2:1)
  • [1,​1'-​Biphenyl]​-​4-​pentanoic acid, γ-​[(3-​carboxy-​1-​oxopropyl)​amino]​-​α-​methyl-​, 4-​ethyl ester, calcium salt (2:1)​, (αR,​γS)​-
  • AHU-377
  • AHU-377 hemicalcium salt
  • Sacubitril Calcium
  • [1,?1'-?Biphenyl]?-?4-?pentanoic acid, γ-?[(3-?carboxy-?1-?oxopropyl)?amino]?-?α-?methyl-?, 4-?ethyl ester, calcium salt (2:1)?, (αR,?γS)?-
  • AHU377 hemicalcium salt
  • Sacubitril hemicalcium salt
  • (2R,4S)-4-[(3-Carboxy-1-oxopropyl)amino]-4-[(p-phenylphenyl)methyl]-2-methylbutanoic acid ethyl ester
  • 4-[[(2S,4R)-5-Ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid calcium salt
  • AHU-377 calcium salt
  • AHU377 calcium salt
  • (2R,4S)-5-(Biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2-methylpentanoic acid ethyl ester
  • 4-{[(2S,4R)-1-(4-Biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoic acid
  • SB17132
  • Calcium;4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoic acid
  • Sacubitril/Valsartan

MDL Number

MFCD28137893

FAQ

What is Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6)?

Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) is a complex organic compound containing calcium as a central metal ion. It features a bis(4-oxobutanoate) group linked to a substituted pentanyl chain with biphenyl, ethoxy, and methyl moieties. This compound is characterized by its high molecular weight and potential as a pharmaceutical agent, though specific physical properties are not widely documented in public databases.

What are the main uses of Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6)?

Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) is primarily used in pharmaceutical research for its potential as an inhibitor of specific enzymes or as a therapeutic agent. Its unique structure may also find applications in drug development targeting neurological or metabolic disorders. Limited industrial or commercial use is reported due to its specialized nature and restricted availability.

Is Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) safe?

Safety information for Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) is limited. As a chemical compound, it should be handled with standard lab precautions, including gloves and ventilation. While no specific toxicity data is publicly available, it is advisable to follow OSHA guidelines and avoid prolonged exposure. Always consult safety data sheets for detailed risk assessments.

How should Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) be stored?

Calcium bis(4-{[(2S,4R)-1-(4-biphenylyl)-5-ethoxy-4-methyl-5-oxo-2-pentanyl]amino}-4-oxobutanoate) (CAS: 1369773-39-6) should be stored in a cool, dry, and dark environment to maintain stability. Keep in a sealed container at 2-8°C to prevent moisture absorption and degradation. Avoid exposure to light and air, and ensure storage conditions comply with chemical safety standards to preserve its integrity and reduce potential risks.

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