R 112 (pharMaceutical)

Base Information

• Chemical Name: R 112 (pharMaceutical)
• CAS No.: 575474-82-7
• Molecular Formula: C16H13FN4O2
• Molecular Weight: 312.29800
• UNII: Y7W5AL9KHB
• ChEMBL ID: CHEMBL515271
• Mol file: 575474-82-7.mol

Synonyms:575474-82-7;R112;R-112;R 112 (pharMaceutical);(E)-Elafibranor;3,3'-((5-Fluoropyrimidine-2,4-diyl)bis(azanediyl))diphenol;Y7W5AL9KHB;CHEMBL515271;R-921218;3,3'-((5-Fluoro-2,4-pyrimidinediyl)diimino)bis(phenol);Phenol, 3,3'-((5-fluoro-2,4-pyrimidinediyl)diimino)bis-;3-((5-Fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl)amino)phenol;3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol;3-({5-fluoro-4-[(3-hydroxyphenyl)amino]pyrimidin-2-yl}amino)phenol;UNII-Y7W5AL9KHB;SCHEMBL655935;EX-A798;AYA47482;BCP20695;BDBM50249090;s6519;AKOS030526851;CS-5235;CID 9904854;AS-57697;HY-16420;FT-0700334;A14161;C75692;J-690325;3,3''-(5-fluoropyrimidine-2,4-diyl)bis(azanediyl)diphenol;N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-primidinediamine;N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine

Chemical Property of R 112 (pharMaceutical)

Chemical Property:

• Boiling Point: 552.0±60.0 °C(Predicted)
• PKA: 9.48±0.10(Predicted)
• PSA: 93.53000
• Density: 1.494±0.06 g/cm3(Predicted)
• LogP: 3.00900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 312.10225383
• Heavy Atom Count: 23
• Complexity: 376

Purity/Quality:

98% min ^*data from raw suppliers

R112 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O
• Description: R112 is an inhibitor of spleen tyrosine kinase (Syk; IC50 = 226 nM in cultured human mast cells) that acts in an ATP-competitive and reversible manner (Ki = 96 nM). It inhibits mast cell and basophil degranulation induced by anti-IgE cross-linking (EC50s = 353 and 280 nM, respectively). It also inhibits basophil degranulation induced by an allergen with an EC50 value of 490 nM. R112 inhibits the production of leukotriene C4 (LTC4; ) and decreases cytokine levels in cultured human mast cells.
• Uses: R 112 is Syk inhibitor. It can be used in biological study and therapeutic use of application of cultured human mast cells (CHMC) for design and structure-activity relationship of IgE-mediated mast cell activation inhibitors.