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1,4-Thienodiazepine-2,5-diones via MCR (II): scaffold hopping by Gewald and Ugi-deprotection-cyclization strategy.


ABSTRACT: A second scaffold of 1,4-thienodiazepine-2,5-diones was discovered and is synthetically accessible from Gewald 2-aminothiophenes via Ugi-Deprotection-Cyclization (UDC) strategy. This approach yielded hybrid peptidomimetic diazepine structures with six points of diversity introduced from readily available starting materials. A virtual compound library (N = 50 000) was generated and evaluated for chemical space distribution and drug-like properties.

SUBMITTER: Huang Y 

PROVIDER: S-EPMC2913473 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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1,4-Thienodiazepine-2,5-diones via MCR (II): scaffold hopping by Gewald and Ugi-deprotection-cyclization strategy.

Huang Yijun Y   Dömling Alexander A  

Chemical biology & drug design 20100609 2


A second scaffold of 1,4-thienodiazepine-2,5-diones was discovered and is synthetically accessible from Gewald 2-aminothiophenes via Ugi-Deprotection-Cyclization (UDC) strategy. This approach yielded hybrid peptidomimetic diazepine structures with six points of diversity introduced from readily available starting materials. A virtual compound library (N = 50 000) was generated and evaluated for chemical space distribution and drug-like properties. ...[more]

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