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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28N6O
Molecular Weight 368.4759
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aftin-4

SMILES

CC[C@H](CO)NC1=NC2=C(N=CN2C(C)C)C(=N1)N(C)CC3=CC=CC=C3

InChI

InChIKey=YPYWONAECUVKHY-MRXNPFEDSA-N
InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

PubMed

PubMed

TitleDatePubMed
Brain toxicity and inflammation induced in vivo in mice by the amyloid-β forty-two inducer aftin-4, a roscovitine derivative.
2015
Aftins increase amyloid-β42, lower amyloid-β38, and do not alter amyloid-β40 extracellular production in vitro: toward a chemical model of Alzheimer's disease?
2013
Small-molecule inducers of Aβ-42 peptide production share a common mechanism of action.
2012-12
Name Type Language
Aftin-4
Common Name English
(2R)-2-[[9-(1-Methylethyl)-6-[methyl(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol
Preferred Name English
1-Butanol, 2-[[9-(1-methylethyl)-6-[methyl(phenylmethyl)amino]-9H-purin-2-yl]amino]-, (2R)-
Systematic Name English
2-[[9-(1-Methylethyl)-6-[methyl(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol, (2R)-
Systematic Name English
Code System Code Type Description
CAS
866893-90-5
Created by admin on Wed Apr 02 06:35:08 GMT 2025 , Edited by admin on Wed Apr 02 06:35:08 GMT 2025
PRIMARY
PUBCHEM
5289296
Created by admin on Wed Apr 02 06:35:08 GMT 2025 , Edited by admin on Wed Apr 02 06:35:08 GMT 2025
PRIMARY
FDA UNII
5563QWW82B
Created by admin on Wed Apr 02 06:35:08 GMT 2025 , Edited by admin on Wed Apr 02 06:35:08 GMT 2025
PRIMARY