MS9427 TFA

For research use only. Not for therapeutic Use.

  • CAT Number: I041420
  • Molecular Formula: C50H59ClF4N8O14
  • Molecular Weight: 1107.50
  • Purity: ≥95%
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MS9427 TFA(Cat No.:I041420)is a highly selective and potent inhibitor of the protein methyltransferase SETD7, an enzyme that catalyzes the methylation of lysine residues on histones and other substrates, playing a crucial role in regulating gene expression and cellular functions. By targeting SETD7, MS9427 TFA has shown potential in disrupting the epigenetic regulation of cancer cells, especially in hematologic malignancies and solid tumors. Its ability to modulate gene expression and influence cellular pathways like proliferation and apoptosis positions it as a promising therapeutic candidate in cancer treatment and other diseases involving epigenetic dysregulation.


Synonyms

5-[2-[2-[2-[2-[2-[3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid

Molecular Formula C50H59ClF4N8O14
Purity ≥95%
IUPAC Name 5-[2-[2-[2-[2-[2-[3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
InChI InChI=1S/C48H58ClFN8O12.C2HF3O2/c1-64-41-30-39-36(45(53-31-52-39)54-33-4-6-38(50)37(49)28-33)29-42(41)70-16-2-11-56-12-14-57(15-13-56)44(60)9-17-65-19-21-67-23-25-69-26-24-68-22-20-66-18-10-51-32-3-5-34-35(27-32)48(63)58(47(34)62)40-7-8-43(59)55-46(40)61;3-2(4,5)1(6)7/h3-6,27-31,40,51H,2,7-26H2,1H3,(H,52,53,54)(H,55,59,61);(H,6,7)
InChIKey SZDKGDPFHUTOHP-UHFFFAOYSA-N
SMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)C(=O)CCOCCOCCOCCOCCOCCNC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O.C(=O)(C(F)(F)F)O

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