Apstatin
Basic information
- CAS
160470-73-5- Standard SMILES
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O- InChIKey
YVUUZAPYLPWFHE-HXFGRODQSA-N- Molecular formula
- C23H33N5O5
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.24816917
Overview
inhibits aminopeptidase P; structure given in first source
Names & identifiers
- Preferred name
- Apstatin
- IUPAC
- (2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
- English name
- APSTATIN TRIFLUOROACETATE SALT
- Molecular formula
- C23H33N5O5
- Molecular weight
- 459.54
Names & synonyms
Apstatin160470-73-5JZK8P9AG86(2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carbonyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamideN-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)-L-prolyl-L-prolyl-L-alaninamideN-[(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-prolyl-l-prolyl-l-alaninamide(2S)-1-((2S)-1-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carbonyl)-N-((2S)-1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamideRefChem:113557(2S)-2-(((2S)-1-((2S)-1-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidin-2-yl)formamido)propanamideCHEMBL311875(S)-N-((S)-1-Amino-1-oxopropan-2-yl)-1-((S)-1-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide1-[1-(3-Amino-2-hydroxy-4-phenylbutanoyl)pyrrolidine-2-carbonyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
Show more names
Apstatin (HPLC)Apstatin, 95% (HPLC)APSTATIN HYDROCHLORIDEAPSTATIN TRIFLUOROACETATE SALT
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 741
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 864.3 · 864.3±65.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- Solid.
- pka
- 11.26 · 11.26±0.45(Predicted)
- FDA UNII
- 8 P9AG86 · JZK8P9AG86
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
Chemistry & industry
Applications
UsesApstatin is a potent aminopeptidase P (APP) inhibitor with Ki values of 2.6, 0.64 μM for rat and human APP, respectively. Apstatin shows cardioprotection[1][2].
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