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

CAS: 13485-59-1 Cat. No.: A167052 分子式: C₈H₁₄N₂O₃·xH₂O 分子量: 186.21 EC番号: 236-795-8

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥96%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥96%

名前と識別子

パブケム・シド

504755680

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755680

カノニカル・スマイル

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

異性体SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Tpp2 Tripeptidyl aminopeptidase (141 Activities)

Discover Target: Tpp2

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

作用メカニズム

化学的性質と物理的性質

• 比旋光度［α］: -112° (C=2,H2O)
• 融点（°C）: 171 °C
• 分子量: 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13485-59-1, the molecular formula is C8H14N2O3·xH2O, and the molecular weight is 186.21 g/mol. InChIKey WPWUFUBLGADILS-WDSKDSINSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.