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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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T287611-5mg
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5mg |
7
|
$380.90
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|
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T287611-10mg
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10mg |
5
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$685.90
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|
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T287611-25mg
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25mg |
4
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$1,543.90
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|
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T287611-50mg
|
50mg |
4
|
$2,777.90
|
|
Potent and selective Cdk9 degrading PROTAC
| Synonyms | N-(5-(((5-(tert-Butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)-1-(14-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)-2-oxo-6,9,12-trioxa-3-azatetradecyl)piperidine-4-carboxamide |
|---|---|
| Specifications & Purity | Moligand™, ≥98%(HPLC) |
| Biochemical and Physiological Mechanisms | PROTAC®comprising the cyclin-dependent kinase inhibitorSNS 032 conjugated to the cereblon E3 ligase ligand,thalidomide. Potent, selective and cereblon-dependent degrader of Cdk9 (EC50= 4 nM). Displays >15-fold selectivity for Cdk9 over other CDKs (EC50val |
| Storage Temp | Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of cyclin dependent kinase 7;Inhibitor of cyclin dependent kinase 9 |
| Product Description |
Product description THAL-SNS-032 is a selective CDK9 degrader PROTAC consisting of a CDK-binding SNS-032 ligand linked to a thalidomide derivative that binds the E3 ubiquitin ligase Cereblon (CRBN) |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid amides |
| Alternative Parents | Phthalimides Piperidinecarboxamides Isoindoles Piperidinediones N-arylamides Secondary alkylarylamines Delta lactams Alkylarylthioethers 2,5-disubstituted thiazoles 2,5-disubstituted oxazoles N-substituted carboxylic acid imides Benzenoids Vinylogous amides N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid amide - Phthalimide - Isoindolone - Piperidinecarboxamide - Isoindole or derivatives - Isoindole - Isoindoline - Aryl thioether - N-arylamide - Piperidinedione - Alkylarylthioether - Secondary aliphatic/aromatic amine - Piperidinone - Delta-lactam - 2,5-disubstituted 1,3-thiazole - 2,5-disubstituted 1,3-oxazole - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Vinylogous amide - Thiazole - Oxazole - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 504773095 |
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| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773095 |
| IUPAC Name | N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide |
| INCHI | InChI=1S/C40H52N8O10S2/c1-40(2,3)29-21-43-32(58-29)24-59-33-22-44-39(60-33)46-35(51)25-9-13-47(14-10-25)23-31(50)42-12-16-56-18-20-57-19-17-55-15-11-41-27-6-4-5-26-34(27)38(54)48(37(26)53)28-7-8-30(49)45-36(28)52/h4-6,21-22,25,28,41H,7-20,23-24H2,1-3H3,(H,42,50)(H,44,46,51)(H,45,49,52) |
| InChIKey | BXDZOYLPNAIDOC-UHFFFAOYSA-N |
| Smiles | CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O |
| Isomeric SMILES | CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCN(CC3)CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O |
| PubChem CID | 131801483 |
| Molecular Weight | 869.02 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 | |
| Certificate of Analysis | Jun 25, 2023 | T287611 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 86.9, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 869.000 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 22 |
| Exact Mass | 868.325 Da |
| Monoisotopic Mass | 868.325 Da |
| Topological Polar Surface Area | 277.000 Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1500.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |