Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Br

For research use only. Not for therapeutic Use.

  • CAT Number: I041292
  • CAS Number: 2345733-40-4
  • Molecular Formula: C43H49BrF2N3O12P
  • Molecular Weight: 948.74
  • Purity: ≥95%
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Glucocorticoid Receptor Agonist-1 Phosphate Ala-Ala-Br(Cat No.:I041292)is a synthetic compound designed to target the glucocorticoid receptor (GR), a critical regulator of inflammatory and immune responses. By activating the GR, this compound aims to modulate gene expression involved in immune cell signaling and inflammation. The phosphate Ala-Ala-Br variant enhances the compound’s stability and receptor binding, making it more effective in regulating inflammatory pathways. It holds potential in treating inflammatory conditions like asthma, rheumatoid arthritis, and autoimmune disorders by providing a targeted approach with fewer side effects compared to traditional glucocorticoid therapies.


CAS Number 2345733-40-4
Synonyms

[2-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-12,19-difluoro-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 C43H49BrF2N3O12P
Purity ≥95%
IUPAC Name [2-[(1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-6-[4-[[3-[[(2S)-2-[[(2S)-2-[(2-bromoacetyl)amino]propanoyl]amino]propanoyl]amino]phenyl]methyl]phenyl]-12,19-difluoro-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/C43H49BrF2N3O12P/c1-22(47-36(53)20-44)37(54)48-23(2)38(55)49-27-7-5-6-25(15-27)14-24-8-10-26(11-9-24)39-60-35-18-29-30-17-32(45)31-16-28(50)12-13-40(31,3)42(30,46)33(51)19-41(29,4)43(35,61-39)34(52)21-59-62(56,57)58/h5-13,15-16,22-23,29-30,32-33,35,39,51H,14,17-21H2,1-4H3,(H,47,53)(H,48,54)(H,49,55)(H2,56,57,58)/t22-,23-,29-,30-,32-,33-,35+,39+,40-,41-,42-,43+/m0/s1
InChIKey LTEKXXMNHUVHKP-XXDIGLPESA-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]6C[C@@H](C7=CC(=O)C=C[C@@]7([C@]6([C@H](C[C@@]5([C@@]4(O3)C(=O)COP(=O)(O)O)C)O)F)C)F)NC(=O)CBr

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