Aftin-4 - ≥98% , CAS No.866893-90-5

CAS: 866893-90-5 Cat. No.: A412312 分子式: C₂₀H₂₈N₆O 分子量: 368.48

GRADE & PURITY ≥98%

Synonyms

Aftin4 | Aftin 4 | (2R)-2-[[9-(1-Methylethyl)-6-[methyl(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol | Amyloid-β Forty-Two Inducer 4 | N6-Methyl-(R)-roscovitine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

Aftin4 | Aftin 4 | (2R)-2-[[9-(1-Methylethyl)-6-[methyl(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol | Amyloid-β Forty-Two Inducer 4 | N6-Methyl-(R)-roscovitine

仕様と純度

≥98%

生化学的・生理学的メカニズム

Aftin-4 is an Amyloid-β42 (Aβ42) inducer.

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

AGONIST

純度

≥98%

名前と識別子

パブケム・シド

528763269

カノニカル・スマイル

CCC(CO)NC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)N=CN2C(C)C

IUPAC Name

(2R)-2-[[6-[benzyl(methyl)amino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol

InChIKey

YPYWONAECUVKHY-MRXNPFEDSA-N

INCHI

1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1

異性体SMILES

CC[C@H](CO)NC1=NC2=C(C(=N1)N(C)CC3=CC=CC=C3)N=CN2C(C)C

分子量

368.48

Reaxy-Rn

51928998

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51928998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 6-aminopurines
          • Level6 6-alkylaminopurines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: 6-aminopurines
• Direct Parent: 6-alkylaminopurines
• Alternative Parents: Dialkylarylamines Benzylamines Secondary alkylarylamines Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-alkylaminopurine - Benzylamine - Dialkylarylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Secondary amine - Azacycle - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 368.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 368.232 Da
• Monoisotopic Mass: 368.232 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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