911715-90-7

Basic information

• Product Name: 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-
• Synonyms: 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-;CX3CR1 antagonist 18a;AZD 8797;(R)-2-(2-AMINO-5-((S)-1-PHENYLETHYLTHIO)THIAZOLO[4,5-D]PYRIMIDIN-7-YLAMINO)-4- METHYLPENTAN-1-OL
• CAS NO: 911715-90-7
• Molecular Formula: C19H25N5OS2
• Molecular Weight: 403.5647
• Mol File: 911715-90-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 651.1±65.0 °C(Predicted)
• Appearance: /
• Density: 1.31±0.1 g/cm3(Predicted)
• PKA: 14.47±0.10(Predicted)
• CAS DataBase Reference: 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-(911715-90-7)
• EPA Substance Registry System: 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-(911715-90-7)

Safety Data

• Hazardous Substances Data: 911715-90-7(Hazardous Substances Data)

Usage

Structure

Contains a thiazolo ring, a pyrimidine ring, and an amino group.
The compound has a complex structure with different heterocyclic rings and functional groups.

Chirality

A chiral molecule with a stereocenter at the 2 position.
The molecule has a central carbon atom (the 2 position) bonded to four different groups, resulting in chirality.

Enantiomers

(2R)and (2S)forms.
The chirality at the 2 position results in two different enantiomers, which are non-superimposable mirror images of each other.

Potential pharmaceutical applications

Presence of an amino group and a phenylethyl side chain.
The compound's structural features may allow it to interact with biological targets, making it a potential candidate for pharmaceutical development.

Further research needed

To explore potential uses and properties.
More studies are required to understand the compound's properties, applications, and effects on biological systems.

Upstream product

• 463954-32-7 (2R)-2-[(2-amino-5-sulfanyl[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-amino]-4-methylpentan-1-ol 
• 585-71-7 (1-bromoethyl)benzne 
• 259103-38-3 7-chloro-5-[(phenylmethyl)thio]thiazolo[4,5-d]pyrimidin-2-amine 
• 259100-47-5 2-amino-5-(benzylsulfanyl)[1,3]thiazolo[4,5-d]pyrimidin-7-ol 
• 259103-40-7 {[4-amino-2-(benzylsulfanyl)-6-hydroxypyrimidin-5-yl]sulfanyl}formonitrile 
• 3756-41-0 (S)-(1-chloroethyl)benzene 
• 1459-15-0 (R)-1-chloro-1-phenylethane 
• 911715-84-9 (2R)-2-({2-amino-5-[(1-phenylethyl)thio][1,3]thiazolo[4,5-d]pyrimidin-7-yl}amino)-4-methylpentan-1-ol 
• 911820-08-1 7-chloro-5-{[(1S)-1-phenylethyl]sulfanyl}[1,3]thiazolo[4,5-d]pyrimidin-2-amine 
• 7533-40-6 2-amino-4-methyl-1-pentanol 
• 911820-07-0 2-amino-5-{[(1S)-1-phenylethyl]sulfanyl}[1,3]thiazolo[4,5-d]pyrimidin-7-ol 
• 911820-06-9 6-amino-2-{[(1S)-1-phenylethyl]sulfanyl}pyrimidin-4-ol 

Relevant articles and documents

A PROCESS FOR THE STEREOSELECTIVE PREPARATION OF CHIRAL 2-[(HETERO)ARYLALKYLSULFANYL]PYRIMIDINES AND PRODUCTS OBTAINABLE THEREFROM

There is provided a process for the preparation of a compound of formula I, wherein R1 and R2 each have the meanings provided in the description. There is also provided a process for the preparation of pharmaceutically-active compoun

Substituted 7-amino-5-thio-thiazolo[4,5- d ]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1)

We have developed two parallel series, A and B, of CX3CR1 antagonists for the treatment of multiple sclerosis. By modifying the substituents on the 7-amino-5-thio-thiazolo[4,5-d]pyrimidine core structure, we were able to achieve compounds with high selectivity for CX3CR1 over the closely related CXCR2 receptor. The structure-activity relationships showed that a leucinol moiety attached to the core-structure in the 7-position together with α-methyl branched benzyl derivatives in the 5-position displayed promising affinity, and selectivity as well as physicochemical properties, as exemplified by compounds 18a and 24h. We show the preparation of the first potent and selective orally available CX3CR1 antagonists.

NOVEL 5,7-DISUBSTITUTED [1,3]THIAZOLO[4,5-D]PYRIMIDIN-2(3H)-ONE DERIVATIVES

There are disclosed novel 5,7-disubstituted [1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one derivatives of formula (I) [Chemical formula should be inserted here. Please see paper copy] wherein R1, R2, R3, R4 and R5 are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX3CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, cardio- and cerebrovascular atherosclerotic disorders, peripheral artery disease, rheumatoid arthritis, pulmonary diseases such as COPD, asthma or pain.