KA2507 - Moligand™,≥98% , CAS No.1636894-46-6

CAS: 1636894-46-6 Cat. No.: K646127 Molecular Weight: 322.32 PubChem CID: 117703516

GRADE & PURITY Moligand™, ≥98%

Synonyms

Benzamide, 4-((di-2-pyrazinylamino)methyl)-N-hydroxy- | UNII-VQ7NU11KRM | NSC833746 | NSC-833746 | MS-24772 | SCHEMBL16245665 | GTPL12269 | AKOS040759693 | 1636894-46-6 | HY-138799 | KA2507 | KA-2507 | VQ7NU11KRM | 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydr

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

KA2507 is a potent, orally active and selective HDAC6 inhibitor, with an IC 50 of 2.5 nM. KA2507 shows antitumor activities and immune modulatory effects in preclinical models

Specifications

Synonyms

Benzamide, 4-((di-2-pyrazinylamino)methyl)-N-hydroxy- | UNII-VQ7NU11KRM | NSC833746 | NSC-833746 | MS-24772 | SCHEMBL16245665 | GTPL12269 | AKOS040759693 | 1636894-46-6 | HY-138799 | KA2507 | KA-2507 | VQ7NU11KRM | 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydr

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CN(C2=NC=CN=C2)C3=NC=CN=C3)C(=O)NO
• IUPAC Name: 4-[[di(pyrazin-2-yl)amino]methyl]-N-hydroxybenzamide
• InChIKey: LXHMTDHBMRZSHJ-UHFFFAOYSA-N
• INCHI: 1S/C16H14N6O2/c23-16(21-24)13-3-1-12(2-4-13)11-22(14-9-17-5-7-19-14)15-10-18-6-8-20-15/h1-10,24H,11H2,(H,21,23)
• Isomeric SMILES: C1=CC(=CC=C1CN(C2=NC=CN=C2)C3=NC=CN=C3)C(=O)NO
• Alternate CAS: 1636894-46-6
• PubChem CID: 117703516
• Molecular Weight: 322.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Benzoic acids and derivatives Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Aminopyrazines Imidolactams Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyldiarylamine - Benzoic acid or derivatives - Phenylmethylamine - Benzylamine - Benzoyl - Aralkylamine - Aminopyrazine - Imidolactam - Benzenoid - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 66.67 mg/mL (206.84 mM; Need ultrasonic)
• Molecular Weight: 322.320 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 322.118 Da
• Monoisotopic Mass: 322.118 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 384.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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