A 987306 - ≥98%(HPLC) , CAS No.1082954-71-9

CAS: 1082954-71-9 Cat. No.: A287221 分子式: C₁₈H₂₅N₅O 分子量: 327.42

GRADE & PURITY ≥98%(HPLC)

Synonyms

cis-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydro benzofuro[2,3-h]quinazolin-2-amine | AKOS040744968 | A 987306 | SCHEMBL602748 | BDBM50361013 | Benzofuro(2,3-H)quinazolin-2-amine, 5,6,7a,8,9,10,11,11a-octahydro-4-(1-piperazinyl)-, (7aR,11aR)-rel- | 1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

cis-4-(piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydro benzofuro[2,3-h]quinazolin-2-amine | AKOS040744968 | A 987306 | SCHEMBL602748 | BDBM50361013 | Benzofuro(2,3-H)quinazolin-2-amine, 5,6,7a,8,9,10,11,11a-octahydro-4-(1-piperazinyl)-, (7aR,11aR)-rel- | 1

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Potent histamine H4receptor antagonist (pKivalues are 8.24 and 8.47 in human and rat H4receptors respectively). Displays 162-fold, 620-fold, and > 1600-fold selectivity over human H3, H1and H2receptors. Blocks zymosan-induced neutrophil reflux and attenua

保管条件

Store at -20°C

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。

アクションタイプ

ANTAGONIST

純度

≥98%(HPLC)

名前と識別子

• カノニカル・スマイル: C1CCC2C(C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
• IUPAC Name: (7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
• InChIKey: DJKJVWJQAVGLHJ-WCQYABFASA-N
• INCHI: 1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
• 異性体SMILES: C1CC[C@@H]2[C@H](C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
• 分子量: 327.42
• Reaxy-Rn: 19552616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19552616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinazolines Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Dihydrofurans Oxacyclic compounds Dialkylamines Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinazoline - Dialkylarylamine - Aminopyrimidine - Pyrimidine - Imidolactam - Dihydrofuran - Heteroaromatic compound - Secondary aliphatic amine - Oxacycle - Secondary amine - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

関連ターゲット（人間）

HRH4 Tchem Histamine H4 receptor (1 Activities)

Discover Target: HRH4

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 32.74, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.74, Max Conc. mM: 100
• 分子量: 327.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 327.206 Da
• Monoisotopic Mass: 327.206 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 518.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 1082954-71-9, the molecular formula is C18H25N5O, and the molecular weight is 327.42 g/mol. InChIKey DJKJVWJQAVGLHJ-WCQYABFASA-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.