1799633-27-4

Basic information

• Product Name: S63845
• Synonyms: S63845;(R)-2-((5-(3-chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yl)oxy)-3-(2-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methoxy)phenyl)propanoic acid;(2R)-2-(5-(3-chloro-2-methyl-4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidin-4-yloxy)-3-(2-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methoxy)phenyl)propanoic acid;Benzenepropanoic acid, α-[[(5S)-5-[3-chloro-2-methyl-4-[2-(4-methyl-1-piperazinyl)ethoxy]phenyl]-6-(5-fluoro-2-furanyl)thieno[2,3-d]pyrimidin-4-yl]oxy]-2-[[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methoxy]-, (αR)-
• CAS NO: 1799633-27-4
• Molecular Formula: C39H37ClF4N6O6S
• Molecular Weight: 829.2592928
• EINECS: -0
• Product Categories: API
• Mol File: 1799633-27-4.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 852.6±65.0 °C(Predicted)
• Appearance: /
• Density: 1.46±0.1 g/cm3(Predicted)
• Solubility: insoluble in H2O; ≥20 mg/mL in MeOH; ≥41.45 mg/mL in DMSO
• PKA: 2.54±0.11(Predicted)
• CAS DataBase Reference: S63845(CAS DataBase Reference)
• NIST Chemistry Reference: S63845(1799633-27-4)
• EPA Substance Registry System: S63845(1799633-27-4)

Safety Data

• Hazardous Substances Data: 1799633-27-4(Hazardous Substances Data)

Usage

Description

S63845 is an inhibitor of myeloid cell leukemia 1 (Mcl-1), a pro-survival protein that is overexpressed in many cancers. It induces cell death in multiple myeloma, leukemia, and lymphoma cell lines via mitochondrial apoptosis. S63845 acts synergistically with other drugs to reduce the proliferation of various cancer cells and reduces tumor volume in an acute myeloid leukemia mouse xenograft model in a dose-dependent manner.

Uses

Used in Oncology:
S63845 is used as a potent and selective MCL1 inhibitor for treating cancers by inducing cell death in multiple myeloma, leukemia, and lymphoma cell lines.
Used in Combination Therapy:
S63845 is used in combination with other drugs such as trametinib, lapatinib, PLX4032, and erlotinib to reduce the proliferation of various cancer cells, including SK-MEL-2, BT474, A2058, and PC9 cells.
Used in Senescence-Associated Disease Treatment:
S63845 is used in killing senescent cells and treating senescence-associated diseases or disorders using a combination of a BCL inhibitor and an MCL-1 inhibitor.

Upstream product

• 1799610-97-1 5-bromo-4-chloro-6-(5-fluorofuran-2-yl)thieno[2,3-d]pyrimidine 
• 552295-08-6 4-chloro-6-iodo-thieno[2,3-d]pyrimidine 
• 14080-50-3 thieno[2,3-d]pyrimidin-4(3H)one 
• 1799612-08-0 4-bromo-2-chloro-3-methylphenol 
• 1296225-26-7 [1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]methanol 
• 5464-12-0 2-(4-methylpiperazinyl)ethanol 
• 3964-56-5 4-bromo-2-chlorophenol 
• 1799612-11-5 1-(2-(2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenoxy)ethyl)-4-methylpiperazine 
• 704-65-4 2-(bromomethyl)phenyl acetate 
• 533-18-6 2-methylphenyl acetate 
• 1799610-89-1 5-bromo-4-chloro-6-iodo-thieno [2,3-d]pyrimidine 

Relevant articles and documents

THIENOPYRIMIDINONE DERIVATIVE AND APPLICATION THEREOF IN PREPARING ANTICANCER DRUG

The disclosure relates to a thienopyrimidinone derivative, or a pharmaceutically acceptable prodrug, salt, and solvate thereof. The derivative has the formula (I), where R represents hydrogen (H) or deuterium (D); R1 and R2 independently, at each occurrence, represent H, D, F, Cl, I, cyano group (CN), or N3, and when R represents H, R1 and R2 do not synchronously represent H; R3, R4 and R5 independently, at each occurrence, represent an alkyl group, a cycloalkyl group, a heterocyclic group, an aromatic ring group, or a heteroaryl ring group, which are substituted or unsubstituted.

Method for preparing multi-target small-molecule compounds S63845

The invention discloses a method for preparing multi-target small-molecule compounds S63845, and relates to the technical field of chemical synthesis. The method has the advantages that routes for synthesizing the multi-target small-molecule compounds S63