MOCPAC - ≥95% , CAS No.787549-26-2

CAS: 787549-26-2 Cat. No.: M352358 Summenformel: C₂₇H₃₁N₃O₆ Molekulargewicht: 493.56

GRADE & PURITY ≥95%

Synonyms

MOCPAC, >=95% (HPLC), solid | benzyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-(propanoylamino)hexan-2-yl]carbamate | DTXSID10462150 | NCGC00165828-01 | HY-141427 | MOCPAC | Benzyl (S)-[1-(4-methyl-2-oxo-2H-chromen-7-ylcarbamoyl)-5-propionylam

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Selective HDAC1 substrate (over HDAC6, class I over class II).

Specifications

Synonyme

MOCPAC, >=95% (HPLC), solid | benzyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-(propanoylamino)hexan-2-yl]carbamate | DTXSID10462150 | NCGC00165828-01 | HY-141427 | MOCPAC | Benzyl (S)-[1-(4-methyl-2-oxo-2H-chromen-7-ylcarbamoyl)-5-propionylam

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528765551
• Kanonisches Lächeln: CCC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3
• IUPAC Name: benzyl N-[(2S)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxo-6-(propanoylamino)hexan-2-yl]carbamate
• InChIKey: BFDGUJKFQRJHJM-QFIPXVFZSA-N
• INCHI: 1S/C27H31N3O6/c1-3-24(31)28-14-8-7-11-22(30-27(34)35-17-19-9-5-4-6-10-19)26(33)29-20-12-13-21-18(2)15-25(32)36-23(21)16-20/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1
• Isomere SMILES: CCC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)OCC3=CC=CC=C3
• Molekulargewicht: 493.56
• Reaxy-Rn: 38083301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38083301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Coumarins and derivatives Benzyloxycarbonyls 1-benzopyrans N-arylamides Pyranones and derivatives Fatty amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Coumarin - Benzopyran - Benzyloxycarbonyl - 1-benzopyran - N-arylamide - Pyranone - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Lactone - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO: 21 mg/mL,
• Empfindlichkeit: Moisture sensitive; Light sensitive
• Molekulargewicht: 493.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 493.221 Da
• Monoisotopic Mass: 493.221 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 807.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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