TPPB - ≥99% , CAS No.497259-23-1

CAS: 497259-23-1 Cat. No.: T303812 Molecular Weight: 501.54 PubChem CID: 9935767

GRADE & PURITY ≥99%

Synonyms

AS-82981 | WOLVEMPZUIFSII-IHHOKICGSA-N | PKC Activator V | 5-(4-Trifluoromethyl-phenyl)-penta-2,4-dienoic acid (5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide | EX-A2507 | BCPP000037 | HY-12359 | BDBM501

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AS-82981 | WOLVEMPZUIFSII-IHHOKICGSA-N | PKC Activator V | 5-(4-Trifluoromethyl-phenyl)-penta-2, 4-dienoic acid (5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1, 2, 3, 4, 5, 6-hexahydro-benzo[e][1, 4]diazocin-8-yl)-amide | EX-A2507 | BCPP000037 | HY-12359 | BDBM501

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

High affinity protein kinase C activator (Ki=11.9 nM). Induces differentiation of hESCs into Pdx-1 expressing pancreatic progenitor cells. Also enhances secretion of amyloid precursor protein. Cell permeable.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C)C1C(=O)NC(CC2=C(N1C)C=CC(=C2)NC(=O)C=CC=CC3=CC=C(C=C3)C(F)(F)F)CO
• IUPAC Name: (2E,4E)-N-[(2S,5S)-5-(hydroxymethyl)-1-methyl-3-oxo-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-8-yl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
• InChIKey: WOLVEMPZUIFSII-IHHOKICGSA-N
• INCHI: 1S/C27H30F3N3O3/c1-17(2)25-26(36)32-22(16-34)15-19-14-21(12-13-23(19)33(25)3)31-24(35)7-5-4-6-18-8-10-20(11-9-18)27(28,29)30/h4-14,17,22,25,34H,15-16H2,1-3H3,(H,31,35)(H,32,36)/b6-4+,7-5+/t22-,25-/m0/s1
• Isomeric SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=CC(=C2)NC(=O)/C=C/C=C/C3=CC=C(C=C3)C(F)(F)F)CO
• PubChem CID: 9935767
• Molecular Weight: 501.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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: Trifluoromethylbenzenes Styrenes N-arylamides Dialkylarylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Trifluoromethylbenzene - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Styrene - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

PRKCA Tchem Protein kinase C alpha type (1 Activities)

Discover Target: PRKCA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKCA Tchem Protein kinase C alpha (5923 Activities)

Discover Target: PRKCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 25.08, Max Conc. mM: 50
• Molecular Weight: 501.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 501.224 Da
• Monoisotopic Mass: 501.224 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 806.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

References

1. Zhenyu Lu, Yufei Hu, Gongke Li, Ling Xia.  (2022)  Adamantane Three-Dimensional Porous Organic Framework as a Fluorescence Sensor for Rapid Determination of Tetracycline in Aquatic Products.  Chemosensors,  10  (11): (457).  [PMID:] [10.3390/chemosensors10110457]

2. Lan-Fang Hu, Yang Li, Bin Liu, Ying-Ying Zhang, Xing-Hong Zhang.  (2017)  Alternating and regioregular copolymers with high refractive index from COS and biomass-derived epoxides.  RSC Advances,  7  (78): (49490-49497).  [PMID:] [10.1039/C7RA08958A]