Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} | CAS No. 85921-53-5
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate}
Basic Information
CAS Number
85921-53-5
Molecular Formula
C38H58CaN4O10S2
Molecular Weight
835.1 g/mol
AD
Chemical Classification
Basic Physical Properties
Melting Point
~190°
Specific Rotation
D20 -48 to -52° (c = 1 in methanol)
Safety Information
View Safety InformationToxicity
LD50 in male, female mice, male, female rats (g/kg): all >10.0 orally; 2.1, 2.3, 1.3, 1.3 i.p.; 3.0, 3.8, 3.4, 3.9 s.c.; and in male, female dogs (g/kg): >6.0, >6.0 orally (Sakai)
Synonyms & References
English
- L-Proline, 1-(3-((2-((cyclohexylcarbonyl)amino)-1-oxopropyl)thio)-2-methyl-1-oxopropyl)-, calcium salt (2:1), (R-(R*,S*))-
- MC-838
- Moveltipril calcium
- Altiopril calcium
- SB44S25HE5
- calcium;(2S)-1-[(2S)-3-[(2R)-2-(cyclohexanecarbonylamino)propanoyl]sulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylate
- MC 838
- L-PROLINE, N-(CYCLOHEXYLCARBONYL)-D-ALANYL-(2S)-3-MERCAPTO-2-METHYLPROPANOYL-, CALCIUM SALT (2:1)
- Lowpres
- Lowpress
- SCHEMBL5604459
- Q27289124
- MOVELTIPRIL CALCIUM [JAN]
- Calcium (-)-N-(((S)-3-(N-cyclohexylcarbonyl-D-alanyl)thio)-2-methylpropionyl)-L-prolinate
- MOVELTIPRIL CALCIUM SALT [MI]
- Calcium(S)-1-((S)-3-(((R)-2-(cyclohexanecarboxamido)propanoyl)thio)-2-methylpropanoyl)pyrrolidine-2-carboxylate
- Moveltipril calcium salt
- UNII-SB44S25HE5
- 85921-53-5
- Calcium (2R)-1-[(2R)-3-[2-(cyclohexanecarbonylamino)propanoylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate
- altiopril calcium
FAQ
What are the physical and chemical properties of Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} (CAS: 85921-53-5)?
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is a crystalline compound with a molecular weight of approximately 750 g/mol. It has a high solubility in water and organic solvents. The compound is relatively stable under normal conditions but may react with strong acids and bases. It is used in the synthesis of peptide drugs and as a chelating agent.
How is Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} (CAS: 85921-53-5) typically synthesized?
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is synthesized via a multi-step process involving peptide coupling, esterification, and calcium complexation. The reaction is catalyzed by a transition metal to achieve high yield and selectivity. Common solvents include DMF and dichloromethane.
What industries use Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} (CAS: 85921-53-5)?
Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} is primarily used in the pharmaceutical industry for the development of peptide-based drugs. It is also utilized in the chemical and polymer industries for manufacturing chelating agents and stabilizers.
What precautions should be taken when handling Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate} (CAS: 85921-53-5)?
When handling Calcium bis{(2S)-1-[(2S)-3-{[N-(cyclohexylcarbonyl)-D-alanyl]sulfanyl}-2-methylpropanoyl]-2-pyrrolidinecarboxylate}, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Work in a fume hood to avoid inhalation. In case of spill, clean up with caution using appropriate absorbents, and follow standard safety procedures. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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