MS645

• CAT Number: I017960
• CAS Number: 2250091-96-2
• Molecular Formula: C48H54Cl2N10O2S2
• Molecular Weight: 938.04
• Purity: ≥95%
• Synonyms: 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[10-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]decyl]acetamide
• InChI: InChI=1S/C48H54Cl2N10O2S2/c1-27-29(3)63-47-41(27)43(33-15-19-35(49)20-16-33)53-37(45-57-55-31(5)59(45)47)25-39(61)51-23-13-11-9-7-8-10-12-14-24-52-40(62)26-38-46-58-56-32(6)60(46)48-42(28(2)30(4)64-48)44(54-38)34-17-21-36(50)22-18-34/h15-22,37-38H,7-14,23-26H2,1-6H3,(H,51,61)(H,52,62)/t37-,38-/m0/s1
• InChIKey: VFGPQYYCEGAFLY-UWXQCODUSA-N
• SMILES: CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4C5=NN=C(N5C6=C(C(=C(S6)C)C)C(=N4)C7=CC=C(C=C7)Cl)C)C8=CC=C(C=C8)Cl)C

MS645（Cat No.:I017960）is a bivalent BET bromodomain (BrD) inhibitor, targeting particularly the BRD4 BD1/BD2 tandem domains with a Ki of ~18.4 nM. By constraining the two bromodomains simultaneously, it fosters sustained repression of BRD4-mediated transcription in solid tumor cells.In triple-negative breast cancer (TNBC) cell lines, MS645 shows potent antiproliferative activity (IC₅₀ values in single-digit to low double-digit nanomolar range) and downregulates oncogenes such as c-Myc while upregulating p21. As a preclinical tool, MS645 is valuable for studying chromatin regulation, BET protein function, and epigenetic therapies in cancer research.