702675-74-9

Basic information

• Product Name: N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide
• Synonyms: N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide;BX 795;N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)aMino]propyl]aMino]-2-pyriMidinyl]aMino]phenyl]-1-pyrrolidin;BX795/BX-795;N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide BX-795;BX-795 hydrochloride;N-[3-[[5-iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-Pyrrolidinecarboxamide hydrochloride;BX795N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide
• CAS NO: 702675-74-9
• Molecular Formula: C23H26IN7O2S
• Molecular Weight: 591.471
• EINECS: 200-256-5
• Product Categories: Inhibitors;Akt;mTOR;PI3K
• Mol File: 702675-74-9.mol

Chemical Properties

• Appearance: white to light brown/
• Density: 1.644
• Storage Temp.: 2-8°C
• Solubility: DMSO: soluble15mg/mL, clear
• PKA: 12.57±0.70(Predicted)
• Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
• CAS DataBase Reference: N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide(702675-74-9)
• EPA Substance Registry System: N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide(702675-74-9)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 702675-74-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide is used as a pharmaceutical agent for the treatment of various diseases. Its unique chemical structure allows it to interact with specific biological targets, such as enzymes or receptors, and modulate their activity. This can lead to therapeutic effects in treating conditions such as cancer, inflammation, or neurological disorders.
Used in Research Applications:
In addition to its potential therapeutic uses, N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide can also be used in research settings. It can serve as a valuable tool for studying the mechanisms of action of various biological processes and pathways. By investigating the interactions of this compound with different molecular targets, researchers can gain insights into the underlying molecular mechanisms and develop new strategies for drug discovery and development.
Used in Drug Delivery Systems:
N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide can also be employed in the development of drug delivery systems. Its unique chemical properties and interactions with other molecules can be harnessed to improve the delivery, bioavailability, and therapeutic efficacy of various drugs. This can lead to the development of novel drug formulations and delivery technologies that can enhance the treatment outcomes for various diseases.

Biochem/physiol Actions

BX-795 competes for the ATP (adenosine triphosphate) binding pocket of 3-phosphoinositide-dependent kinase-1 (PDK1) with its substrate ATP. In vitro assays reveal that BX-795 might inhibit Unc-51 (serine/threonine-protein kinase)-like autophagy activating kinase (ULK1).

References

Feldman et al. (2005) Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1; J. Biol. Chem.?280 19867 Bain et al. (2007) The selectivity of protein kinase inhibitors: a further update; Biochem.? J. 408 297 Clark et al. (2009) Use of the Pharmacological Inhibitor BX795 to Study the Regulation and Physiological Roles of TBK1 and IkB Kinase ε; J.? Biol. Chem.?284 14136 Bai et al. (2015) BX795, a TBK1 inhibitor, exhibits antitumor activity in human oral squamous cell carcinoma through apoptosis induction and mitotic phase arrest; Eur.? J. Pharmacol.?769 287 Choi et al. (2019) A pharmacogenomic analysis using L1000CDS2 identifies BX-795 as a potential anticancer drug for primary pancreatic ductal adenocarcinoma cells; Cancer Lett.?465 82 Scuderi et al. (2021) TBK1 Inhibitor Exerts Antiproliferative Effect on Glioblastoma Multiforme Cells; Oncol.? Res.?28 779 Sutlu et al. (2012) Inhibition of Intracellular Antiviral Defense Mechanisms Augments Lentiviral Transduction of Human Natural Killer Cells: Implications for Gene Therapy; Hum. Gene Ther.?23 1090 Allan et al. (2021) Systematic improvements in lentiviral transduction of primary human natural killer cells undergoing e4x vivo expansion; Mol. Ther. Methods Clin. Dev.?20 559 Chockley et al. (2021) Transient blockade of TBK1/IKKε allows efficient transduction of primary human natural killer cells with vesicular stomatitis virus G-pseudotyped lentiviral vectors; Cytotherapy?23 787 Lingyu et al. (2020) Lentiviral delivery of combinatorial CAR/CRISPRi circuit into human primary T cells is enhanced by TBK1/IKKε complex inhibitor BX795; J. Transl. Med.?18 363

Relevant articles and documents

CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS

This invention relates to pyrimidine derivatives of general formula (I) as inhibitors of kinases, their production as well as their use as medications for treating various diseases.