Thrombin Receptor Agonist - ≥97%(HPLC) , CAS No.137339-65-2

CAS: 137339-65-2 Cat. No.: T118936 Formule: C₈₁H₁₁₈N₂₀O₂₃ Poids moléculaire: 1739.92 PubChem CID: 16131180

GRADE & PURITY ≥97%(HPLC)

Synonyms

SFLLRNPNDKYEPF | TRP42/55 | Trap-14 peptide | L-Phenylalanine, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alpha-aspartyl-L-lysyl-L-tyrosyl-L-alpha-glutamyl-L-prolyl- | TRAP; ThroMbin Receptor Agonist Peptide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

SFLLRNPNDKYEPF | TRP42/55 | Trap-14 peptide | L-Phenylalanine, L-seryl-L-phenylalanyl-L-leucyl-L-leucyl-L-arginyl-L-asparaginyl-L-prolyl-L-asparaginyl-L-alpha-aspartyl-L-lysyl-L-tyrosyl-L-alpha-glutamyl-L-prolyl- | TRAP; ThroMbin Receptor Agonist Peptide

Spécifications et pureté

≥97%(HPLC)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

AGONIST

Pureté

≥97%(HPLC)

Noms et identifiants

Pubchem Sid

528770121

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770121

Sourires canoniques

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCC(=O)O)C(=O)N3CCCC3C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CO)N

IUPAC Name

(4S)-4-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

InChIKey

OXHYRVSBKWIFES-WWSDOYNLSA-N

INCHI

1S/C81H118N20O23/c1-43(2)34-53(93-71(114)54(35-44(3)4)94-73(116)55(92-67(110)49(83)42-102)36-45-16-7-5-8-17-45)70(113)90-51(21-13-31-88-81(86)87)69(112)98-59(40-64(85)105)79(122)101-33-15-22-61(101)76(119)97-57(39-63(84)104)74(117)96-58(41-66(108)109)75(118)89-50(20-11-12-30-82)68(111)95-56(37-47-24-26-48(103)27-25-47)72(115)91-52(28-29-65(106)107)78(121)100-32-14-23-62(100)77(120)99-60(80(123)124)38-46-18-9-6-10-19-46/h5-10,16-19,24-27,43-44,49-62,102-103H,11-15,20-23,28-42,82-83H2,1-4H3,(H2,84,104)(H2,85,105)(H,89,118)(H,90,113)(H,91,115)(H,92,110)(H,93,114)(H,94,116)(H,95,111)(H,96,117)(H,97,119)(H,98,112)(H,99,120)(H,106,107)(H,108,109)(H,123,124)(H4,86,87,88)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

Isomères SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)N

PubChem CID

16131180

Poids moléculaire

1739.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Classe Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Classe: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Tyrosine and derivatives Arginine and derivatives Phenylalanine and derivatives Aspartic acid and derivatives Leucine and derivatives Asparagine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Tricarboxylic acids and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Guanidines Azacyclic compounds Carboximidamides Carboxylic acids Carbonyl compounds Imines Monoalkylamines Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Arginine or derivatives - Phenylalanine or derivatives - Asparagine or derivatives - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Serine or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Tricarboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboximidamide - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary alcohol - Organic oxide - Imine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - Primary amine - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 1739.900 g/mol
• XLogP3: -7.400
• Hydrogen Bond Donor Count: 23
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 54
• Exact Mass: 1738.87 Da
• Monoisotopic Mass: 1738.87 Da
• Topological Polar Surface Area: 713.000 Ų
• Heavy Atom Count: 124
• Formal Charge: 0
• Complexity: 3670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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