Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal

For research use only. Not for therapeutic Use.

  • CAT Number: I042284
  • CAS Number: 2345732-89-8
  • Molecular Formula: C47H53N4O14P
  • Molecular Weight: 928.92
  • Purity: ≥95%
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Glucocorticoid Receptor Agonist-1 Phosphate Ala-Ala-Mal(Cat No.:I042284)is a synthetic compound designed to activate the glucocorticoid receptor (GR), a key receptor involved in regulating inflammation, immune responses, and metabolism. The compound consists of a glucocorticoid receptor agonist linked to a peptide, Ala-Ala-Mal, which enhances its bioactivity and selectivity. By binding to the GR, this agonist aims to modulate immune responses, reduce inflammation, and improve conditions such as autoimmune diseases and inflammatory disorders. Its phosphate group may influence solubility or pharmacokinetics, optimizing the compound for therapeutic use in targeted treatments.


Catalog Number I042284
CAS Number 2345732-89-8
Synonyms

[2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] dihydrogen phosphate

Molecular Formula C47H53N4O14P
Purity ≥95%
IUPAC Name [2-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] dihydrogen phosphate
InChI InChI=1S/C47H53N4O14P/c1-25(48-38(55)23-51-39(56)14-15-40(51)57)42(58)49-26(2)43(59)50-31-7-5-6-28(19-31)18-27-8-10-29(11-9-27)44-64-37-21-34-33-13-12-30-20-32(52)16-17-45(30,3)41(33)35(53)22-46(34,4)47(37,65-44)36(54)24-63-66(60,61)62/h5-11,14-17,19-20,25-26,33-35,37,41,44,53H,12-13,18,21-24H2,1-4H3,(H,48,55)(H,49,58)(H,50,59)(H2,60,61,62)/t25-,26-,33-,34-,35-,37+,41+,44+,45-,46-,47+/m0/s1
InChIKey PCHXBKCIRQOZOP-OWXFDGHLSA-N
SMILES C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC=CC(=C1)CC2=CC=C(C=C2)[C@@H]3O[C@@H]4C[C@H]5[C@@H]6CCC7=CC(=O)C=C[C@@]7([C@H]6[C@H](C[C@@]5([C@@]4(O3)C(=O)COP(=O)(O)O)C)O)C)NC(=O)CN8C(=O)C=CC8=O

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