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CAS 142217-79-6

:

(2R,3S,5S)-5-[2-[[(4-Methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]cyclopentanone

Description:
The chemical substance with the name "(2R,3S,5S)-5-[2-[[(4-Methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]cyclopentanone" and CAS number 142217-79-6 is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a cyclopentanone core, which is a five-membered cyclic ketone, and incorporates multiple phenylmethoxy groups that enhance its lipophilicity and potential biological activity. The presence of a purine moiety suggests possible interactions with biological systems, particularly in relation to nucleic acid metabolism or signaling pathways. The specific stereochemistry indicated by the (2R,3S,5S) configuration implies that the compound may exhibit chiral properties, which can influence its pharmacological profile and interactions with biological targets. Overall, this compound's intricate structure and functional diversity may contribute to its potential applications in medicinal chemistry or as a research tool in biochemical studies.
Formula:C52H47N5O5
InChI:InChI=1S/C52H47N5O5/c1-59-43-29-27-42(28-30-43)52(40-23-13-5-14-24-40,41-25-15-6-16-26-41)56-51-54-49-47(50(55-51)62-34-39-21-11-4-12-22-39)53-36-57(49)45-31-46(61-33-38-19-9-3-10-20-38)44(48(45)58)35-60-32-37-17-7-2-8-18-37/h2-30,36,44-46H,31-35H2,1H3,(H,54,55,56)/t44-,45+,46+/m1/s1
InChI key:InChIKey=JBDUMGNQMZHOMS-QZVMJXQOSA-N
SMILES:C(NC=1N=C2N(C=NC2=C(OCC3=CC=CC=C3)N1)[C@H]4C[C@H](OCC5=CC=CC=C5)[C@@H](COCC6=CC=CC=C6)C4=O)(C7=CC=C(OC)C=C7)(C8=CC=CC=C8)C9=CC=CC=C9
Synonyms:
  • (2R,3S,5S)-5-[2-[[(4-Methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]cyclopentanone
  • Cyclopentanone, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3S,5S)-
  • Cyclopentanone, 5-[2-[[(4-methoxyphenyl)diphenylmethyl]amino]-6-(phenylmethoxy)-9H-purin-9-yl]-3-(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [2R-(2α,3β,5α)]-
  • Entecavir intermediate 6
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