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CAS 172529-93-0

:

1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate

Description:
1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate, with the CAS number 172529-93-0, is a chemical compound that features a complex structure incorporating a purine derivative. This substance is characterized by the presence of a dimethyl group and a propanedioate moiety, which contributes to its potential biological activity. The compound contains an amino group and a chloro substituent on the purine ring, which may influence its interaction with biological targets, particularly in the context of nucleic acid metabolism or enzyme inhibition. Its molecular structure suggests it may exhibit properties relevant to medicinal chemistry, possibly acting as a pharmaceutical agent or a biochemical probe. The presence of multiple functional groups indicates potential for hydrogen bonding and other intermolecular interactions, which could affect its solubility and reactivity. Overall, this compound's unique structural features position it as a candidate for further investigation in drug development or biochemical research.
Formula:C12H14ClN5O4
InChI:InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)
InChI key:InChIKey=SALNWJHEVGXTER-UHFFFAOYSA-N
SMILES:C(CC(C(OC)=O)C(OC)=O)N1C=2C(N=C1)=C(Cl)N=C(N)N2
Synonyms:
  • 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
  • Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate
  • Dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]malonate
  • Propanedioic acid, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, 1,3-dimethyl ester
  • Propanedioic acid, [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, dimethyl ester
  • dimethyl 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)malonate
  • dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
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