5441-78-1

Basic information

• Product Name: 1-(5H-purin-6-ylsulfanyl)propan-2-one
• CAS NO: 5441-78-1
• Molecular Formula: C₈H₈N₄OS
• Molecular Weight: 208.2403
• Mol File: 5441-78-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 348.2°C at 760 mmHg
• Flash Point: 164.4°C
• Density: 1.55g/cm³
• Vapor Pressure: 5.11E-05mmHg at 25°C
• Refractive Index: 1.756
• CAS DataBase Reference: 1-(5H-purin-6-ylsulfanyl)propan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(5H-purin-6-ylsulfanyl)propan-2-one(5441-78-1)
• EPA Substance Registry System: 1-(5H-purin-6-ylsulfanyl)propan-2-one(5441-78-1)

Safety Data

• Hazardous Substances Data: 5441-78-1(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

Purine is a heterocyclic aromatic organic compound, and 1-(5H-purin-6-ylsulfanyl)propan-2-one is a derivative, meaning it is structurally related to purine.

Explanation

The compound's structure is characterized by the connection between a purine ring and a propan-2-one group via a sulfur atom, which is responsible for its unique properties.

Explanation

Due to its structural features and purine-derived nature, 1-(5H-purin-6-ylsulfanyl)propan-2-one may have potential uses in the pharmaceutical or biological fields.

Explanation

More research is required to fully understand the potential uses and properties of 1-(5H-purin-6-ylsulfanyl)propan-2-one, as its current understanding is limited.

Derivative of purine

Yes

Structural features

Purine moiety linked to a propan-2-one group through a sulfur atom

Potential applications

Pharmaceutical or biological

Research status

Further research needed

Upstream product

• 50-44-2 6-mercaptopurine 
• 78-95-5 chloroacetone 
• 157930-09-1 6-Mercaptopurine 

Downstream Products

• 875-31-0 9-methylhypoxanthine 

Relevant articles and documents

Design, Synthesis, and Anticancer Activity of Novel Fused Purine Analogues

6-Mercaptopurine has been utilized for the synthesis of various fused purine analogues through different chemical reactions to yield [1,4]thiazino[4,3,2-gh]purines 2, 3, 10a,b, 14, (8-oxo-[1,4]thiazino[4,3,2-gh]purin-7(8H)-ylidene) acetate 4, [1,4]thiazepino[4,3,2-gh]purine 6, thiazolo[3,4,5-gh]purine 7, imidazo[1,5,4-gh]purin-5-amine 8, 5-methylimidazo[1,5,4-gh]purine 9, [1,2,4]triazino[4,3-i]purines 16, 18, 21, [1,2,4]triazino[4,5,6-gh]purine 20, 5-methyl-2-(7H-purin-6-yl)-1H-pyrazol-3(2H)-one 22, [1,2,4]triazolo[4,3-i]purine 23, [1,2,5]triazepino[5,4,3-gh]purine 24, and ethyl 6-(2-(ethoxycarbonyl)hydrazinyl)-9H-purine-9-carboxylate 26. Seventeen of the newly synthesized compounds were selected by the NCI, Maryland, USA, and were tested for their anticancer activity in an initial single high dose in the full NCI 60 cell line panel among which [1,4]thiazino[4,3,2-gh]purine-7,8-dione 2, 7-benzyl-[1,4]thiazino[4,3,2-gh]purine 10b, and 3-(2,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[4,3-i]purine 23 were found to possess very potent anticancer activity against most of the cancer cell lines.