[Pyr1]-Apelin-13 trifluoroacetate salt - Moligand™, ≥95% , Agonist of apelin receptor, CAS No.217082-60-5, Agonist of apelin receptor

CAS: 217082-60-5 Cat. No.: P275806 Molecular Weight: 分子量:1533.80 (free base basis） PubChem CID: 25085173

GRADE & PURITY Moligand™, ≥95%

Synonyms

(Glp1)-Apelin-13, human, bovine | Pyr-apelin-13 | (Pyr1)-Apelin-13 (human, bovine, mouse, rat) trifluoroacetate (H-Pyr-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe-OH) | AKOS024457089 | [Pyr1]-Apelin 13 | p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-P

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

(Glp1)-Apelin-13, human, bovine | Pyr-apelin-13 | (Pyr1)-Apelin-13 (human, bovine, mouse, rat) trifluoroacetate (H-Pyr-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe-OH) | AKOS024457089 | [Pyr1]-Apelin 13 | p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-P

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Highly potent, selective endogenous apelin receptor (APJ) agonist (EC 50 = 0.37 nM). Effects on the vasculature seen in vivo .(Pyr1)-Apelin-13, the major apelin form in human plasma and heart, corresponds to Apelin-13 with posttranslationally modified pyr

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of apelin receptor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769960
• Canonical Smiles: CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)NCC(=O)N2CCCC2C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C6CCC(=O)N6
• IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
• InChIKey: GGMAXEWLXWJGSF-PEWBXTNBSA-N
• INCHI: 1S/C69H108N22O16S/c1-39(2)32-47(85-57(96)43(17-9-26-76-68(71)72)82-63(102)52-20-12-29-90(52)65(104)45(18-10-27-77-69(73)74)83-58(97)44-22-23-54(93)80-44)59(98)88-50(37-92)61(100)86-48(34-41-35-75-38-79-41)60(99)81-42(16-7-8-25-70)56(95)78-36-55(94)89-28-11-19-51(89)62(101)84-46(24-31-108-3)66(105)91-30-13-21-53(91)64(103)87-49(67(106)107)33-40-14-5-4-6-15-40/h4-6,14-15,35,38-39,42-53,92H,7-13,16-34,36-37,70H2,1-3H3,(H,75,79)(H,78,95)(H,80,93)(H,81,99)(H,82,102)(H,83,97)(H,84,101)(H,85,96)(H,86,100)(H,87,103)(H,88,98)(H,106,107)(H4,71,72,76)(H4,73,74,77)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCSC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]6CCC(=O)N6
• PubChem CID: 25085173
• Molecular Weight: 分子量:1533.80 (free base basis）

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives Methionine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Serine and derivatives Phenylpropanoic acids Amphetamines and derivatives Imidazolyl carboxylic acids and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Pyrrolidine-2-ones N-acyl amines Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Lactams Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Primary alcohols Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - Methionine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Serine or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Imidazolyl carboxylic acid derivative - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Fatty amide - Benzenoid - 2-pyrrolidone - N-acyl-amine - Pyrrolidone - Fatty acyl - Heteroaromatic compound - Azole - Imidazole - Tertiary carboxylic acid amide - Pyrrolidine - Guanidine - Lactam - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic oxide - Alcohol - Organic nitrogen compound - Organic oxygen compound - Primary amine - Primary aliphatic amine - Carbonyl group - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• External Descriptors: Not available

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)

APLNR Tchem Apelin receptor (0 Activities)

Discover Target: APLNR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

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

MME Tclin Neprilysin (838 Activities)

Discover Target: MME

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

Discover Target: Aplnr

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Plasma (328 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 10 mg/ml
• Molecular Weight: 1533.800 g/mol
• XLogP3: -5.900
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 44
• Exact Mass: 1532.8 Da
• Monoisotopic Mass: 1532.8 Da
• Topological Polar Surface Area: 618.000 Ų
• Heavy Atom Count: 108
• Formal Charge: 0
• Complexity: 3160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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