3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic Acid - CAS 391211-97-5
Catalog: |
BB023845 |
Product Name: |
3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzoic Acid |
CAS: |
391211-97-5 |
Synonyms: |
3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid; 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid |
IUPAC Name: | 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid |
Description: | Intermediate in the preparation of MEK inhibitors. |
Molecular Weight: | 393.10 |
Molecular Formula: | C13H7F3INO2 |
Canonical SMILES: | C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)O |
InChI: | InChI=1S/C13H7F3INO2/c14-8-3-2-7(13(19)20)12(11(8)16)18-10-4-1-6(17)5-9(10)15/h1-5,18H,(H,19,20) |
InChI Key: | REMYZOSCCVDLDL-UHFFFAOYSA-N |
MDL: | MFCD08690072 |
LogP: | 4.22330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P270, P273, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017291838-A1 | Multifunctional inhibitors of MEK/PI3K and mtor/mek/pi3k biological pathways and therapeutic methods using the same | 20160706 |
CA-3029875-A1 | Multifunctional inhibitors of mek/pi3k and mtor/mek/pi3k biological pathways and therapeutic methods using the same | 20160706 |
EP-3481822-A1 | MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME | 20160706 |
JP-2019519593-A | Multifunctional inhibitors of MEK / PI3K and mTOR / MEK / PI3K biological pathways, and methods of treatment with the same multifunctional inhibitors | 20160706 |
US-2019224207-A1 | MULTIFUNCTIONAL INHIBITORS OF MEK/PI3K AND mTOR/MEK/PI3K BIOLOGICAL PATHWAYS AND THERAPEUTIC METHODS USING THE SAME | 20160706 |
PMID | Publication Date | Title | Journal |
24900486 | 20120510 | Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973) | ACS medicinal chemistry letters |
Complexity: | 361 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 392.94736 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 392.94736 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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