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ST 2825 - 99%, high purity , CAS No.894787-30-5

    Grade & Purity:
  • ≥99%
In stock
Item Number
S651585
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Availability
Price Qty
S651585-1mg
1mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$426.90
S651585-5mg
5mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$1,464.90
S651585-10mg
10mg
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$2,227.90

Basic Description

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
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

Taxonomic Classification

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

Associated Targets(Human)

HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MYD88 Tbio Myeloid differentiation primary response protein MyD88 (26 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

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
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

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

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

Solution Calculators

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