Mc-Val-Ala-PAB - ≥98% , CAS No.1870916-87-2

CAS: 1870916-87-2 Cat. No.: M412172 Summenformel: C₂₅H₃₄N₄O₆ Molekulargewicht: 486.56 PubChem CID: 100029273

GRADE & PURITY ≥98%

Synonyms

6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Information

Mc-Val-Ala-PAB, a useful linker, makes antibody-drug-conjugate (ADC) for targeting drug delivery.

Specifications

Synonyme

6-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-((S)-1-(((S)-1-((4-(hydroxymethyl)phenyl)amino)-1-oxopropan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)hexanamide

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Mc-Val-Ala-PAB, a useful linker, makes antibody-drug-conjugate (ADC) for targeting drug delivery.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508810716

Kanonisches Lächeln

CC(C)C(C(=O)NC(C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCCCCN2C(=O)C=CC2=O

IUPAC Name

6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide

InChIKey

DAMSURYLURICHN-SBUREZEXSA-N

INCHI

1S/C25H34N4O6/c1-16(2)23(28-20(31)7-5-4-6-14-29-21(32)12-13-22(29)33)25(35)26-17(3)24(34)27-19-10-8-18(15-30)9-11-19/h8-13,16-17,23,30H,4-7,14-15H2,1-3H3,(H,26,35)(H,27,34)(H,28,31)/t17-,23-/m0/s1

Isomere SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)CO)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN2C(=O)C=CC2=O

PubChem CID

100029273

Molekulargewicht

486.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Peptides
          • Ebene6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Anilides Benzyl alcohols N-arylamides Maleimides N-acyl amines N-substituted carboxylic acid imides Dicarboximides Pyrrolines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Aromatic alcohols Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Anilide - Benzyl alcohol - N-arylamide - Maleimide - N-acyl-amine - Benzenoid - Fatty acyl - Fatty amide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrroline - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 486.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 486.248 Da
• Monoisotopic Mass: 486.248 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 786.000
• 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