MK-886

Chemical Information
3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid is a member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. It has a role as an antineoplastic agent, a leukotriene antagonist and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a member of indoles, a monocarboxylic acid, an aryl sulfide and a member of monochlorobenzenes.
| CAS Number | 118414-82-7 |
| PubChem CID | 3651377 |
| IUPAC Name | 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid |
| Molecular Formula | C27H34ClNO2S |
| Molecular Weight | 472.1 |
| XLogP | 7.6 |
| Topological Polar Surface Area | 67.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 638 |
| Property | Value |
|---|---|
| Molecular Weight | 472.1 |
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 471.1998782 |
| Monoisotopic Mass | 471.1998782 |
| Topological Polar Surface Area | 67.5 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 638 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Related Products
Alternative Products
| Catalog | Name |
|---|---|
| BML-EI266-0005 | MK-886 |
| MBS131098-01 | MK 886 |
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