D-Jnki-1 , c-Jun N-terminal kinase 3 inhibitor, CAS No.1198367-70-2, c-Jun N-terminal kinase 3 inhibitor

CAS: 1198367-70-2 Cat. No.: D671284 Peso molecular: 3823.4 PubChem CID: 72941992

Synonyms

D-JNKI-1 | D-JNKI 1 | AM111 peptide | Glycine, D-alpha-aspartyl-D-glutaminyl-D-seryl-D-arginyl-D-prolyl-D-valyl-D-glutaminyl-D-prolyl-D-phenylalanyl-D-leucyl-D-asparaginyl-D-leucyl-D-threonyl-D-threonyl-D-prolyl-D-arginyl-D-lysyl-D-prolyl-D-arginyl-D-prol

Storage

Room temperature

Specifications

Sinónimos

D-JNKI-1 | D-JNKI 1 | AM111 peptide | Glycine, D-alpha-aspartyl-D-glutaminyl-D-seryl-D-arginyl-D-prolyl-D-valyl-D-glutaminyl-D-prolyl-D-phenylalanyl-D-leucyl-D-asparaginyl-D-leucyl-D-threonyl-D-threonyl-D-prolyl-D-arginyl-D-lysyl-D-prolyl-D-arginyl-D-prol

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Mecanismo de acción

c-Jun N-terminal kinase 3 inhibitor

Propiedades del producto

• ALogP: -22.5

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(
• IUPAC Name: (3R)-3-amino-4-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[(2R)-2-[[(2R)-1-[[(2R)-5-amino-1-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R,3S)-1-[[(2R,3S)-1-[(2R)-2-[[(2R)-1-[[(2R)-6-amino-1-[(2R)-2-[[(2R)-1-[(2R)-2-[(2R)-2-[[(2R)-1-[[(2R)-1-[[(2R)-1-[
• InChIKey: HRMVIAFZYCCHGF-BMCUWHFPSA-N
• INCHI: 1S/C164H285N65O41/c1-84(2)77-106(216-139(254)108(79-89-33-10-9-11-34-89)219-146(261)112-48-28-72-225(112)153(268)105(55-58-119(171)235)215-148(263)123(86(5)6)221-147(262)115-51-29-73-226(115)151(266)103(45-25-69-198-163(187)188)213-142(257)110(83-23
• Isómeros SMILES: C[C@@H]([C@H](C(=O)N[C@H]([C@H](C)O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCC[C@@H]3C(=O)N4CCC[C@@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)[C@H]6CCCN6C(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC(=O)O)N)O
• PubChem CID: 72941992
• Peso molecular: 3823.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Clase Polypeptides

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