ZIP

N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE

Created:	2004-06-23
Last modified:	2021-03-01

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

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Chemical Component Summary
Name	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Synonyms	ISOPENTENYLADENINE
Systematic Name (OpenEye OEToolkits)	N-(3-methylbut-2-enyl)-9H-purin-6-amine
Formula	C₁₀ H₁₃ N₅
Molecular Weight	203.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncn1)c(nc2)NC\C=C(/C)C
SMILES	CACTVS	3.341	CC(C)=CCNc1ncnc2[nH]cnc12
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCNc1c2c([nH]cn2)ncn1)C
Canonical SMILES	CACTVS	3.341	CC(C)=CCNc1ncnc2[nH]cnc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=CCNc1c2c([nH]cn2)ncn1)C
InChI	InChI	1.03	InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
InChIKey	InChI	1.03	HYVABZIGRDEKCD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08768
Name	N(6)-dimethylallyladenine
Groups	experimental
Synonyms	Isopentenyl adenine N6-(3-methylbut-2-enyl)adenine N(6)-(delta(2)-Isopentenyl)adenine N(6)-dimethylallyladenine Isopentenyladenine IPADE N6-dimethylallyladenine N6-isopentenyladenine N6-(delta2-Isopentenyl)-adenine
Categories	Cytokinins Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Purine Nucleosides Purines Ribonucleosides Vitamin B Complex Vitamins
CAS number	2365-40-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown

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