79927-22-3 Usage
Molecular Structure
The compound has a complex structure consisting of a purine base with a carboxaldehyde group and a tetrahydro-1,3-dimethyl-2,6-dioxo-7-(phenylmethyl) side chain.
Purine Base
The presence of a purine base makes it a key component in DNA and RNA, as well as in various biological processes.
Carboxaldehyde Group
The carboxaldehyde group contributes to the compound's reactivity and potential for forming various chemical bonds.
Tetrahydro Side Chain
The tetrahydro side chain provides additional structural complexity and may influence the compound's pharmacological properties.
Dimethyl Groups
Two methyl groups are attached to the tetrahydro side chain, which may contribute to the compound's lipophilicity and membrane permeability.
Dioxo Functionality
The presence of two oxo groups (C=O) in the side chain may contribute to the compound's reactivity and potential for forming hydrogen bonds.
Phenylmethyl Group
The phenylmethyl group (C6H5-CH2-) adds to the compound's complexity and may provide additional pharmacological properties.
Pharmaceutical and Medicinal Applications
Due to its purine base and unique side chain, the compound is potentially used in pharmaceutical and medicinal applications.
Drug Development and Research
The compound is a promising candidate for drug development and research due to its complex structure and potential pharmacological properties.
Further Studies Needed
More research is required to fully understand the compound's potential uses and effects in various applications.
Check Digit Verification of cas no
The CAS Registry Mumber 79927-22-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,9,2 and 7 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 79927-22:
(7*7)+(6*9)+(5*9)+(4*2)+(3*7)+(2*2)+(1*2)=183
183 % 10 = 3
So 79927-22-3 is a valid CAS Registry Number.
79927-22-3Relevant articles and documents
Discovery of NCT-501, a Potent and Selective Theophylline-Based Inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1)
Yang, Shyh-Ming,Yasgar, Adam,Miller, Bettina,Lal-Nag, Madhu,Brimacombe, Kyle,Hu, Xin,Sun, Hongmao,Wang, Amy,Xu, Xin,Nguyen, Kimloan,Oppermann, Udo,Ferrer, Marc,Vasiliou, Vasilis,Simeonov, Anton,Jadhav, Ajit,Maloney, David J.
, p. 5967 - 5978 (2015/08/24)
Aldehyde dehydrogenases (ALDHs) metabolize reactive aldehydes and possess important physiological and toxicological functions in areas such as CNS, metabolic disorders, and cancers. Increased ALDH (e.g., ALDH1A1) gene expression and catalytic activity are vital biomarkers in a number of malignancies and cancer stem cells, highlighting the need for the identification and development of small molecule ALDH inhibitors. A new series of theophylline-based analogs as potent ALDH1A1 inhibitors is described. The optimization of hits identified from a quantitative high throughput screening (qHTS) campaign led to analogs with improved potency and early ADME properties. This chemotype exhibits highly selective inhibition against ALDH1A1 over ALDH3A1, ALDH1B1, and ALDH2 isozymes as well as other dehydrogenases such as HPGD and HSD17β4. Moreover, the pharmacokinetic evaluation of selected analog 64 (NCT-501) is also highlighted.
