Ala-Pro hydrate - ≥96% , CAS No.13485-59-1

CAS: 13485-59-1 Cat. No.: A167052 Molecular Weight: 186.21 EC Number: 236-795-8

GRADE & PURITY ≥96%

Synonyms

WPWUFUBLGADILS-WDSKDSINSA-N | (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acid | alanyl-l-proline | MFCD00037332 | AKOS015853859 | Alanine-Proline dipeptide | BDBM50020390 | L-Alanyl-L-proline | (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxyli

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

WPWUFUBLGADILS-WDSKDSINSA-N | (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxylic acid | alanyl-l-proline | MFCD00037332 | AKOS015853859 | Alanine-Proline dipeptide | BDBM50020390 | L-Alanyl-L-proline | (S)-1-((S)-2-Aminopropanoyl)pyrrolidine-2-carboxyli

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Alanyl dipeptides such as ala-leu, ala-lys, ala-gly, ala-pro, ala-tyr and ala-phe may be used in physicochemical studies or to evaluate dipeptide separation technologies. Alanyl dipeptides may also be used for studying cell uptake mechanisms, dipeptide me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504755680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755680
• Canonical Smiles: CC(C(=O)N1CCCC1C(=O)O)N
• IUPAC Name: (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid
• InChIKey: WPWUFUBLGADILS-WDSKDSINSA-N
• INCHI: 1S/C8H14N2O3/c1-5(9)7(11)10-4-2-3-6(10)8(12)13/h5-6H,2-4,9H2,1H3,(H,12,13)/t5-,6-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N
• Molecular Weight: 186.21
• Reaxy-Rn: 84652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=84652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Pyrrolidine carboxylic acids N-acylpyrrolidines Tertiary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: dipeptide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Tpp2 Tripeptidyl aminopeptidase (141 Activities)

Discover Target: Tpp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: -112° (C=2,H2O)
• Melt Point(°C): 171 °C
• Molecular Weight: 186.210 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.1 Da
• Monoisotopic Mass: 186.1 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1