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 is a glucocorticoid receptor agonist. Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal can be used in anti-CD40 antibody agent conjugate (ADC). Glucocorticoid receptor agonist-1 phosphate Ala-Ala-Mal can be used for the research of inflammation and immune regulation[1].


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%
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 CC(C(=O)NC(C)C(=O)NC1=CC=CC(=C1)CC2=CC=C(C=C2)C3OC4CC5C6CCC7=CC(=O)C=CC7(C6C(CC5(C4(O3)C(=O)COP(=O)(O)O)C)O)C)NC(=O)CN8C(=O)C=CC8=O
Reference

[1]. Adrian D. Hobson, et al. Anti-cd40 antibody drug conjugates. Patent. WO2019106608A1.

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