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(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol is a complex organic molecule with a unique structure that features a benzimidazole ring, a purine ring, a piperidine ring, and an ethan-1-ol group. The presence of fluorine atoms and an isopropyl group further contribute to its distinct chemical properties. This intricate molecular architecture suggests potential biological activity and pharmacological applications, although further research is required to confirm its specific uses and therapeutic potential.

2220184-50-7

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2220184-50-7 Usage

Uses

Used in Pharmaceutical Industry:
(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol is used as a potential pharmaceutical compound for its possible biological activity and pharmacological properties. The unique structure of the molecule, including the presence of various functional groups and the fluorine atoms, may contribute to its effectiveness in targeting specific biological pathways or receptors.
Used in Chemical Research:
In the field of chemical research, (S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol can be utilized as a subject for studying the effects of its structural components on its overall properties and potential applications. This may include investigations into its reactivity, stability, and interactions with other molecules, which could provide valuable insights for the development of new drugs or materials.
Used in Drug Design and Development:
The complex structure of (S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol makes it a candidate for drug design and development. Researchers may explore its potential as a lead compound for the creation of new medications, particularly if its biological activity can be linked to specific therapeutic targets or disease pathways.

Check Digit Verification of cas no

The CAS Registry Mumber 2220184-50-7 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 2,2,2,0,1,8 and 4 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2220184-50:
(9*2)+(8*2)+(7*2)+(6*0)+(5*1)+(4*8)+(3*4)+(2*5)+(1*0)=107
107 % 10 = 7
So 2220184-50-7 is a valid CAS Registry Number.

2220184-50-7Downstream Products

2220184-50-7Relevant academic research and scientific papers

Structure-Based Design of Selective Noncovalent CDK12 Inhibitors

Johannes, Jeffrey W.,Denz, Christopher R.,Su, Nancy,Wu, Allan,Impastato, Anna C.,Mlynarski, Scott,Varnes, Jeffrey G.,Prince, D. Bryan,Cidado, Justin,Gao, Ning,Haddrick, Malcolm,Jones, Natalie H.,Li, Shaobin,Li, Xiuwei,Liu, Yang,Nguyen, Toan B.,O'Connell, Nichole,Rivers, Emma,Robbins, Daniel W.,Tomlinson, Ronald,Yao, Tieguang,Zhu, Xiahui,Ferguson, Andrew D.,Lamb, Michelle L.,Manchester, John I.,Guichard, Sylvie

, p. 231 - 235 (2018)

Cyclin-dependent kinase (CDK) 12 knockdown via siRNA decreases the transcription of DNA-damage-response genes and sensitizes BRCA wild-type cells to poly(ADP-ribose) polymerase (PARP) inhibition. To recapitulate this effect with a small molecule, we sought a potent, selective CDK12 inhibitor. Crystal structures and modeling informed hybridization between dinaciclib and SR-3029, resulting in lead compound 5 [(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-ethyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol]. Further structure-guided optimization delivered a series of selective CDK12 inhibitors, including compound 7 [(S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isopropyl-9H-purin-2-yl)piperidin-2-yl)ethan-1-ol]. Profiling of this compound across CDK9, 7, 2, and 1 at high ATP concentration, single-point kinase panel screening against 352 targets at 0.1 μm, and proteomics via kinase affinity matrix technology demonstrated the selectivity. This series of compounds inhibits phosphorylation of Ser2 on the C-terminal repeat domain of RNA polymerase II, consistent with CDK12 inhibition. These selective compounds were also acutely toxic to OV90 as well as THP1 cells.

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