Thonzylamine - ≥98% , CAS No.91-85-0

CAS: 91-85-0 Cat. No.: T413469 分子式: C₁₆H₂₂N₄O 分子量: 286.38 PubChem CID: 5457

グレード＆純度 ≥98%

Synonyms

Tonamil | NCGC00178145-01 | Resistab (Salt/Mix) | THONZYLAMINE [INN] | N-[(4-METHOXYPHENYL)METHYL]-N',N'-DIMETHYL-N-PYRIMIDIN-2-YLETHANE-1,2-DIAMINE HYDROCHLORIDE | thonzylamine | Novohetramin (Salt/Mix) | 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Information

Thonzylamine Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.

仕様

同義語

Tonamil | NCGC00178145-01 | Resistab (Salt/Mix) | THONZYLAMINE [INN] | N-[(4-METHOXYPHENYL)METHYL]-N',N'-DIMETHYL-N-PYRIMIDIN-2-YLETHANE-1,2-DIAMINE HYDROCHLORIDE | thonzylamine | Novohetramin (Salt/Mix) | 2-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino

仕様と純度

≥98%

生化学的・生理学的メカニズム

Thonzylamine (Neohetramine) is an antihistamine and anticholinergic drug.

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504750895

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504750895

カノニカル・スマイル

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2

IUPAC Name

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine

InChIKey

GULNIHOSWFYMRN-UHFFFAOYSA-N

INCHI

1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3

異性体SMILES

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2

PubChem CID

5457

分子量

286.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzylamines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

関連ターゲット（人間）

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 57 mg/mL (199.04 mM); Water: 57 mg/mL (199.04 mM); Ethanol: 13 mg/mL (45.39 mM)
• 感度: Easy to absorb moisture
• 分子量: 286.370 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.179 Da
• Monoisotopic Mass: 286.179 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 273.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 91-85-0, the molecular formula is C16H22N4O, and the molecular weight is 286.38 g/mol. InChIKey GULNIHOSWFYMRN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.