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Aviptadil(CAS: 40077-57-4)
CAS Number
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![(4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-carboxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid](https://static.chemtradehub.com/structs/157/157884-74-7-f40f.webp)
(4S)-4-amino-5-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-3-amino-1-[[(1S)-5-amino-1-[[2-[[(1S)-2-[[(1S,2S)-1-[[(1S,2S)-1-[[2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[2-[[2-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-1-carboxyethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-3-oxo-propyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]-4-oxo-butyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-carboxy-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(carboxymethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
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Basic Information
Molecular Formula
C147H238N44O42S
Molecular Weight
3325.8 g/mol
EINECS
200-001-8
Physical Properties
Density
1.47±0.1 g/cm3(Predicted)
Water Solubility
Soluble to 1 mg/ml in water
Chemical Identifiers
SMILES
CC[C@@H]([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=CN=CN1)=O)CO)=O)CC(O)=O)=O)C)=O)C(C)C)=O)CC2=CC=CC=C2)=O)[C@H](O)C)=O)CC(O)=O)=O)CC(N)=O)=O)CC3=CC=C(O)C=C3)=O)[C@H](O)C)=O)CCCNC(N)=N)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCCCN)=O)CCC(N)=O)=O)CCSC)=O)C)=O)C(C)C)=O)CCCCN)=O)CCCCN)=O)CC4=CC=C(O)C=C4)=O)CC(C)C)=O)CC(N)=O)=O)CO)=O)C(N[C@H](C(N[C@H](C(N)=O)CC(N)=O)=O)CC(C)C)=O)C
InChIKey
HEOYHMUESMJFDC-RIWXPGAOSA-N
Database References
MDL Number
MFCD00167535
FAQ
Aviptadil is a crystalline compound with a molecular weight of approximately 458.55 g/mol. It has a low water solubility, making it less soluble in water compared to most organic solvents. Chemically, it is relatively stable under normal conditions but can react with strong oxidizing agents. Its melting point is around 210°C, and it is slightly soluble in ethanol and acetone.
Aviptadil is synthesized through a multi-step process involving the condensation of a substituted amino alcohol with an aromatic aldehyde, followed by reduction and cyclization. Commonly used catalysts include palladium on carbon, and the overall yield is around 60-70%. This synthesis method ensures high selectivity and purity.
Aviptadil is primarily used in the pharmaceutical industry for its potential in treating respiratory disorders. It is also explored in research for its effects on the brain and cardiovascular system. Further applications include its use in sensors and as a potential therapeutic agent in various medical fields.
When handling Aviptadil, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. In case of a spill, immediately clean it up using appropriate absorbent materials and ensure proper disposal. Always refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
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