Chemical Component Summary

Name9-HYDROXYPROPYLADENINE, S-ISOMER
Identifiers(2S)-1-(6-aminopurin-9-yl)propan-2-ol
FormulaC8 H11 N5 O
Molecular Weight193.206
TypeNON-POLYMER
Isomeric SMILESC[C@@H](Cn1cnc2c1ncnc2N)O
InChIInChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1
InChIKeyMJZYTEBKXLVLMY-YFKPBYRVSA-N

Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count26
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03000 
NameS-9-(2-hydroxypropyl)adenine
Groups experimental
Synonyms
  • 9-Hydroxypropyladenine, S-Isomer
  • S-9-(2-hydroxypropyl)adenine
CAS number14047-27-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidine kinaseMASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLL...unknowninducer
Adenosine deaminaseMAQTPAFDKPKVELHVHLDGSIKPETILYYGRRRGIALPANTAEGLLNVI...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445210
CCDC/CSD ANIQUM