ZIP - 10mM in DMSO , CAS No.863987-12-6

CAS: 863987-12-6 Cat. No.: Z426425 Fórmula: C₉₂H₁₅₅F₃N₃₀O₁₉ Peso molecular: 2042.40 PubChem CID: 16156119

CALIDAD & PUREZA 10mM in DMSO

Synonyms

z-Pseudosubstrate inhibitory peptide

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificaciones

Sinónimos

z-Pseudosubstrate inhibitory peptide

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Novel, cell-permeable PKMζ inhibitor, a constitutively active, atypical PKC isozyme. Efficacious in in vitro and in vivo models of synaptic plasticity (IC 50 = 1 - 2.5 μM).

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528768567

Sonrisas canónicas

CCCCCCCCCCCCCC(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)O

IUPAC Name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-(tetradecanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

InChIKey

CRKARHQCXWSUMV-HOHDCHNJSA-N

INCHI

1S/C90H154N30O17/c1-7-9-10-11-12-13-14-15-16-17-18-36-71(123)110-70(52-121)83(134)120-73(54(5)8-2)84(135)118-67(48-56-37-39-58(122)40-38-56)81(132)115-64(33-25-44-104-88(96)97)77(128)112-61(31-23-42-102-86(92)93)75(126)108-51-72(124)109-55(6)74(125)111-63(32-24-43-103-87(94)95)76(127)114-66(35-27-46-106-90(100)101)79(130)117-68(49-57-50-107-60-29-20-19-28-59(57)60)82(133)116-65(34-26-45-105-89(98)99)78(129)113-62(30-21-22-41-91)80(131)119-69(85(136)137)47-53(3)4/h19-20,28-29,37-40,50,53-55,61-70,73,107,121-122H,7-18,21-27,30-36,41-49,51-52,91H2,1-6H3,(H,108,126)(H,109,124)(H,110,123)(H,111,125)(H,112,128)(H,113,129)(H,114,127)(H,115,132)(H,116,133)(H,117,130)(H,118,135)(H,119,131)(H,120,134)(H,136,137)(H4,92,93,102)(H4,94,95,103)(H4,96,97,104)(H4,98,99,105)(H4,100,101,106)/t54-,55-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,73-/m0/s1

Isómeros SMILES

CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

PubChem CID

16156119

Peso molecular

2042.40

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 Tyrosine and derivatives Arginine and derivatives Phenylalanine and derivatives Isoleucine and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Serine and derivatives Alpha amino acid amides Tryptamines and derivatives Alanine and derivatives Amphetamines and derivatives 3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Amino acids Carboxylic acids Carboximidamides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Imines Monoalkylamines Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polypeptide - Alpha peptide - Tyrosine or derivatives - Arginine or derivatives - Phenylalanine or derivatives - Leucine or derivatives - Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Serine or derivatives - Alpha-amino acid amide - Triptan - Alanine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - 3-alkylindole - Indole or derivatives - Indole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Substituted pyrrole - Fatty acyl - Fatty amide - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Guanidine - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Alcohol - Primary amine - Primary alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Imine - Organic oxide - Amine - Primary aliphatic amine - Organooxygen compound - Aromatic heteropolycyclic 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

Propiedades químicas y físicas

• Peso molecular: 1928.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 33
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 76
• Exact Mass: 1927.21 Da
• Monoisotopic Mass: 1927.21 Da
• Topological Polar Surface Area: 807.000 Ų
• Heavy Atom Count: 137
• Formal Charge: 0
• Complexity: 3810.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• 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