Panobinostat lactate - ≥98% , CAS No.960055-56-5

CAS: 960055-56-5 Cat. No.: P769979 Molecular Weight: 439.5 PubChem CID: 23725423

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Panobinostat lactate is a potent, orally active, non-selective HDAC inhibitor with antitumor effects.Panobinostat lactate induces apoptosis and autophagy.Panobinostat lactate effectively interferes with HIV latency. Panobinostat lactate has been shown to be effective in interfering with HIV latency.Panobinostat lactate can be used in the study of refractory or relapsed multiple myeloma.

Specifications

Specifications & Purity

≥98%

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.

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO.CC(C(=O)O)O
• IUPAC Name: (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide;2-hydroxypropanoic acid
• InChIKey: XVDWNSFFSMWXJJ-ASTDGNLGSA-N
• INCHI: 1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+
• Isomeric SMILES: CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO.CC(C(=O)O)O
• Alternate CAS: 960055-56-5
• PubChem CID: 23725423
• Molecular Weight: 439.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: Cinnamic acids and derivatives 3-alkylindoles Styrenes Phenylmethylamines Benzylamines Aralkylamines Substituted pyrroles Heteroaromatic compounds Hydroxamic acids Amino acids and derivatives Dialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Cinnamic acid or derivatives - Tryptamine - 3-alkylindole - Indole - Benzylamine - Phenylmethylamine - Styrene - Aralkylamine - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Hydroxamic acid - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• External Descriptors: organoammonium salt - lactate salt

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

Chemical and Physical Properties

• Molecular Weight: 439.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 439.211 Da
• Monoisotopic Mass: 439.211 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 533.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3