ZD7288 - ≥98% , CAS No.133059-99-1

CAS: 133059-99-1 Cat. No.: Z274826 Molecular Weight: 292.81 PubChem CID: 123983

GRADE & PURITY ≥98%

Synonyms

BZ162628 | HB1152 | N-Ethyl-1,6-dihydro-1,2-dimethyl-6-(methylimino)-N-phenyl-4-pyrimidinamine monohydrochloride | ZD 7288 | AS-80257 | N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine;hydrochloride | J-006297 | 4-Pyrimidinamine, N-ethyl-1,6-d

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BZ162628 | HB1152 | N-Ethyl-1, 6-dihydro-1, 2-dimethyl-6-(methylimino)-N-phenyl-4-pyrimidinamine monohydrochloride | ZD 7288 | AS-80257 | N-ethyl-1, 2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine;hydrochloride | J-006297 | 4-Pyrimidinamine, N-ethyl-1, 6-d

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Sino-atrial node function modulator; blocks the hyperpolarisation activated inward current I f . Also inhibits I h in central neurons and inhibits synaptic transmission.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488187782
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187782
• Canonical Smiles: CCN(C1=CC=CC=C1)C2=CC(=NC)N(C(=N2)C)C.Cl
• IUPAC Name: N-ethyl-1,2-dimethyl-6-methylimino-N-phenylpyrimidin-4-amine;hydrochloride
• InChIKey: DUWKUHWHTPRMAP-UHFFFAOYSA-N
• INCHI: 1S/C15H20N4.ClH/c1-5-19(13-9-7-6-8-10-13)15-11-14(16-3)18(4)12(2)17-15;/h6-11H,5H2,1-4H3;1H
• Isomeric SMILES: CCN(C1=CC=CC=C1)C2=CC(=NC)N(C(=N2)C)C.Cl
• PubChem CID: 123983
• Molecular Weight: 292.81

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: Aniline and substituted anilines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyldiarylamine - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organic salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - 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: Soluble in water to 100 mM
• Sensitivity: Moisture sensitive
• Molecular Weight: 292.810 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 292.145 Da
• Monoisotopic Mass: 292.145 Da
• Topological Polar Surface Area: 31.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 402.000
• 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: 2

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