53052-06-5

Basic information

• Product Name: OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE
• Synonyms: Oxazolo[4,5-b]pyridin-2(3H)thione,99%;[1,3]Oxazolo[4,5-b]pyridin-2-thiol;Oxazolo[4,5-b]pyridine-2(3H)-thione;1,3-Oxazolo[4,5-b]pyridin-2(3H)thione;2,3-Dihydro-2-thioxo-1,3-oxazolo[4,5-b]pyridine;3H-[1,3]oxazolo[4,5-b]pyridine-2-thione;OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE;OXAZOLO[4,5-B]PYRIDINE-2-THIOL
• CAS NO: 53052-06-5
• Molecular Formula: C₆H₄N₂OS
• Molecular Weight: 152.17
• Mol File: 53052-06-5.mol
• Article Data: 23

Chemical Properties

• Melting Point: 243-246 °C
• Boiling Point: 284.1 °C at 760 mmHg
• Flash Point: 125.6 °C
• Appearance: /solid
• Density: 1.402 (estimate)
• Vapor Pressure: 0.00303mmHg at 25°C
• Refractive Index: 1.6430 (estimate)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE(CAS DataBase Reference)
• NIST Chemistry Reference: OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE(53052-06-5)
• EPA Substance Registry System: OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE(53052-06-5)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• HazardClass: IRRITANT
• Hazardous Substances Data: 53052-06-5(Hazardous Substances Data)

Usage

Chemical Properties

Beige crystalline powder

InChI:InChI=1/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)

Upstream product

• 16867-03-1 2-amino-3-hydroxypyridine 
• 140-89-6 potassium ethyl xanthogenate 
• 65407-94-5 2-amino-3-hydroxypyridine hydrochloride 
• 75-15-0 carbon disulfide 
• 137-26-8 Thiram 

Downstream Products

• 155471-47-9 2-(2-oxo-2-phenylethylthio)oxazole<4,5-b>pyridine 
• 169205-95-2 2-(methylthio)oxazolo[4,5-b]pyridine 
• 213684-58-3 N-(2,6-diisopropylphenyl)-6-(oxazolo[4,5-b]pyridin-2-ylthio)hexanamide 
• 325976-45-2 2-chlorooxazolo[4,5-b]pyridine 

Relevant articles and documents

Chemistry of azobenzazole systems. 1. Synthesis and structure of oxazolo [4,5-b]-pyridine-2(3H)-thione and its oxygen analog

We have synthesized oxazolo[4,5-b]pyridine-2(3H)-thione by reaction of 2-hydroxy-3-aminopyridine with potassium ethylxanthogenate. The structure has been confirmed by PMR, IR, and mass spectra. The thione form was established with the help of x-ray diffraction and PMR spectroscopy.

Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies

Small molecule potent IRAK4 inhibitors from a novel bicyclic heterocycle class were designed and synthesized based on hits identified from Aurigene's compound library. The advanced lead compound, CA-4948, demonstrated good cellular activity in ABC DLBCL and AML cell lines. Inhibition of TLR signaling leading to decreased IL-6 levels was also observed in whole blood assays. CA-4948 demonstrated moderate to high selectivity in a panel of 329 kinases as well as exhibited desirable ADME and PK profiles including good oral bioavailability in mice, rat, and dog and showed >90% tumor growth inhibition in relevant tumor models with excellent correlation with in vivo PD modulation. CA-4948 was well tolerated in toxicity studies in both mouse and dog at efficacious exposure. The overall profile of CA-4948 prompted us to select it as a clinical candidate for evaluation in patients with relapsed or refractory hematologic malignancies including non-Hodgkin lymphoma and acute myeloid leukemia.

Compounds for Pain Treatment, Compositions Comprising Same, and Methods of Using Same

The invention relates to compounds of formula (I), compositions containing the same, and methods for treating and/or diminishing pain in a subject in need thereof. The compounds of formula (I) are effective for treating opioid-induced tachyphylaxis and op