SLF is a synthetic ligand for FK506-binding protein (FKBP) with an affinity of 3.1 μM for FKBP51 and an IC 50 of 2.6 μM for FKBP12. SLF can be used in the synthesis of PROTAC .
In Vitro
Three scout fragments-KB02, KB03, and KB05 are fused, which cover two different electrophile groups (chloroacetamide and acrylamide) and display broad cysteine reactivity in the human proteome-to the SLF ligand that binds tightly and selectively to FKBP12, a cytosolic prolyl isomerase that has been frequently used to study ligand-induced protein degradation. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Oil
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Alpha amino acid esters Benzyloxycarbonyls Dimethoxybenzenes Piperidinecarboxylic acids N-acylpiperidines Phenoxy compounds Aniline and substituted anilines Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary amines Ketones Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Dimethoxybenzene - O-dimethoxybenzene - N-acyl-piperidine - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Piperidine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Ketone - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilidad | DMSO : 100 mg/mL (190.60 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Peso molecular | 524.600 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 524.289 Da |
| Monoisotopic Mass | 524.289 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 802.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
