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CAS 439279-66-0

:

Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-, mixt. with 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one

Description:
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-, mixt. with 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one, identified by CAS number 439279-66-0, is a complex chemical substance that combines a steroid and a purine derivative. The steroid component is characterized by its pregnane backbone, featuring multiple hydroxyl groups that contribute to its biological activity, particularly in hormonal regulation and potential therapeutic applications. The presence of the 2-amino-1,9-dihydro-6H-purin-6-one moiety suggests potential interactions with biological systems, possibly influencing nucleic acid metabolism or signaling pathways. This mixture may exhibit synergistic effects due to the combination of steroidal and purine structures, making it of interest in pharmacological research. The specific properties, such as solubility, stability, and reactivity, would depend on the formulation and environmental conditions. Overall, this compound represents a unique intersection of steroid and purine chemistry, warranting further investigation for its potential applications in medicine and biochemistry.
Formula:C21H30O5·C8H11N5O3
InChI:InChI=1S/C21H30O5.C8H11N5O3/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;3,14H,1-2,4H2,(H3,9,11,12,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
InChI key:InChIKey=MDCGTBRYRLWFJI-WDCKKOMHSA-N
SMILES:C(OCCO)N1C2=C(N=C1)C(=O)N=C(N)N2.C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Synonyms:
  • Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-, mixt. with 2-amino-1,9-dihydro-9-[(2-hydroxyethoxy)methyl]-6H-purin-6-one
  • ME 609
  • Aciclovir mixt. with hydrocortisone
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