H-Ala-Ser-OH - ≥98% , CAS No.3303-41-1

CAS: 3303-41-1 Cat. No.: H356526 Molecular Weight: 176.17

GRADE & PURITY ≥98%

Synonyms

Alanine Serine dipeptide | MFCD00066028 | Ala-Ser | (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoic acid | HY-P4244 | Alanine-Serine dipeptide | L-Ala-L-Ser | N-alanylserine | CHEBI:73394 | (S)-2-((S)-2-Amino-propionylamino)-3-hydroxy-propionic a

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Alanine Serine dipeptide | MFCD00066028 | Ala-Ser | (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoic acid | HY-P4244 | Alanine-Serine dipeptide | L-Ala-L-Ser | N-alanylserine | CHEBI:73394 | (S)-2-((S)-2-Amino-propionylamino)-3-hydroxy-propionic a

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• pKa: pKₐ: 2.98 (Predicted), pKₐ: 8.68 (Predicted)
• Ki Data: Solute carrier family 15 member 2: Ki= 6 μM (human); Oligopeptide transporter small intestine isoform: Ki= 140 μM (human)

Names and Identifiers

• Canonical Smiles: CC(C(=O)NC(CO)C(=O)O)N
• IUPAC Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoic acid
• InChIKey: IPWKGIFRRBGCJO-IMJSIDKUSA-N
• INCHI: 1S/C6H12N2O4/c1-3(7)5(10)8-4(2-9)6(11)12/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CO)C(=O)O)N
• WGK Germany: 3
• Molecular Weight: 176.17
• Reaxy-Rn: 1726191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726191&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: N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Alanine and derivatives Beta hydroxy acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organopnictogen compounds Primary alcohols
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Serine or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Primary aliphatic amine - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic 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)

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

SLC15A2 Tchem Solute carrier family 15 member 2 (186 Activities)

Discover Target: SLC15A2

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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20D1.53 (Predicted, tautomer)
• Boil Point(°C): 486.73° C at 760 mmHg (Predicted, tautomer)
• Melt Point(°C): 227.76° C (Predicted, tautomer)
• Molecular Weight: 176.170 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 176.08 Da
• Monoisotopic Mass: 176.08 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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