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| SKU | Size | Availability |
Price | Qty |
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S651585-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$426.90
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S651585-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,464.90
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S651585-10mg
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10mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$2,227.90
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| Synonyms | MS-30526 | AT34141 | A936489 | NCGC00378919-01 | DTXSID30647407 | NCGC00378919-03 | (4R,7R,8Ar)-1'-[2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetyl]-6-oxospiro[3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazine-7,2'-pyrrolidine]-4-carboxamide | H |
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| Specifications & Purity | ≥99% |
| Biochemical and Physiological Mechanisms | ST 2825 is a specific MyD88 dimerization inhibitor. ST2825 interferes with recruitment of IRAK1 and IRAK4 by MyD88 , causing inhibition of IL-1β-mediated activation of NF-κB transcriptional activity. |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
ST 2825 is a specific MyD88 dimerization inhibitor. ST2825 interferes with recruitment of IRAK1 and IRAK4 by MyD88 , causing inhibition of IL-1β-mediated activation of NF-κB transcriptional activity In Vitro ST2825 blocks IL-1R/TLR signaling by interfering with MyD88 homodimerization. ST2825 inhibits this interaction in a concentration-dependent manner with ~40% inhibition of dimerization at 5 μM ST2825 and 80% inhibition at 10 μM ST2825. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo ST2825 dose-dependently inhibits IL-1β-induced production of IL-6 in treated mice after oral administration. The animals are administered orally with the appropriate vehicles or ST2825 at doses ranging from 50 to 200 mg/kg, 5 min prior to i.p. injection with 20 μg/kg IL-1β. ST2825 exertes a significant inhibition of IL-1β-stimulated production of IL-6 at 100 and 200 mg/kg . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:MyD88 |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Alpha amino acid amides Phenylacetamides Anilides Diazaspirononane derivatives Dichlorobenzenes N-acylpyrrolidines Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Thiazinanes Aryl chlorides Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Primary carboxylic acid amides Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Diazaspirononane - Anilide - Phenoxy compound - 1,3-dichlorobenzene - N-acylpyrrolidine - Phenol ether - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - 1,3-thiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Hemithioaminal - Thioether - Dialkylthioether - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. |
| 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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| IUPAC Name | (4R,7R,8aR)-1'-[2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetyl]-6-oxospiro[3,4,8,8a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazine-7,2'-pyrrolidine]-4-carboxamide |
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| INCHI | InChI=1S/C27H28Cl2N4O5S/c28-17-4-7-21(19(29)13-17)38-15-22(34)31-18-5-2-16(3-6-18)12-23(35)32-10-1-9-27(32)14-24-33(26(27)37)20(25(30)36)8-11-39-24/h2-7,13,20,24H,1,8-12,14-15H2,(H2,30,36)(H,31,34)/t20-,24-,27-/m1/s1 |
| InChIKey | HBLHLJXFIPCEMW-ZJSFPPFMSA-N |
| Smiles | C1CC2(CC3N(C2=O)C(CCS3)C(=O)N)N(C1)C(=O)CC4=CC=C(C=C4)NC(=O)COC5=C(C=C(C=C5)Cl)Cl |
| Isomeric SMILES | C1C[C@]2(C[C@@H]3N(C2=O)[C@H](CCS3)C(=O)N)N(C1)C(=O)CC4=CC=C(C=C4)NC(=O)COC5=C(C=C(C=C5)Cl)Cl |
| Alternate CAS | 894787-30-5 |
| PubChem CID | 24808138 |
| MeSH Entry Terms | ST2825 |
| Molecular Weight | 591.51 |
| Solubility | DMSO : 100 mg/mL (169.06 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 591.500 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 590.116 Da |
| Monoisotopic Mass | 590.116 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 966.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |