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TD-428 - CAS 2334525-50-5

Inquiry

TD-428 is a highly specific BRD4 degrader with a DC50 of 0.32 nM. TD-428 is a BET PROTAC, which comprises TD-106 (a CRBN ligand) linked to JQ1 (a BET inhibitor). TD-428 efficiently induce BET protein degradation.

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Molecular Formula

C43H43ClN10O7S

Molecular Weight

879.83

TD-428

- Specification
  - Solubility
    
    10 mM in DMSO
    
    Storage
    
    Please store the product under the recommended conditions in the Certificate of Analysis.
    
    Shipping
    
    Room temperature in continental US; may vary elsewhere
    
    IUPAC Name
    
    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-[3-[2-[2-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]acetamide
    
    Synonyms
    
    2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(3-(2-(2-(2-((3-(2,6-dioxopiperidin-3-yl)-4-oxo-3,4-dihydrobenzo[d][1,2,3]triazin-5-yl)amino)ethoxy)ethoxy)ethoxy)phenyl)acetamide; 6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-[3-[2-[2-[2-[[3-(2,6-dioxo-3-piperidinyl)-3,4-dihydro-4-oxo-1,2,3-benzotriazin-5-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2,3,9-trimethyl-, (6S)-; (6S)-4-(4-Chlorophenyl)-N-[3-[2-[2-[2-[[3-(2,6-dioxo-3-piperidinyl)-3,4-dihydro-4-oxo-1,2,3-benzotriazin-5-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide; TD 428; TD428
- Properties
  - Melting Point
    
    109-111°C
    
    Density
    
    1.50±0.1 g/cm3
    
    InChI Key
    
    XEZUBGASURUNMF-CDRRMRQFSA-N
    
    InChI
    
    InChI=1S/C43H43ClN10O7S/c1-24-25(2)62-43-37(24)39(27-10-12-28(44)13-11-27)47-33(40-51-49-26(3)53(40)43)23-36(56)46-29-6-4-7-30(22-29)61-21-20-60-19-18-59-17-16-45-31-8-5-9-32-38(31)42(58)54(52-50-32)34-14-15-35(55)48-41(34)57/h4-13,22,33-34,45H,14-21,23H2,1-3H3,(H,46,56)(H,48,55,57)/t33-,34?/m0/s1
    
    Canonical SMILES
    
    CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC(=CC=C4)OCCOCCOCCNC5=CC=CC6=C5C(=O)N(N=N6)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)C
- Reference Reading
  - 1. A novel cereblon modulator for targeted protein degradation.
    
    Kim, S.A., Go, A., Jo, S.H., Park, S.J., Jeon, Y.U., Kim, J.E., Lee, H.K., Park, C.H., Lee, C.O., Park, S.G. and Kim, P., 2019. European Journal of Medicinal Chemistry, 166, pp.65-74.
    
    Immunomodulatory drugs (IMiDs) exert anti-myeloma activity by binding to the protein cereblon (CRBN) and subsequently degrading IKZF1/3. Recently, their ability to recruit E3 ubiquitin ligase has been used in the proteolysis targeting chimera (PROTAC) technology. Herein, we design and synthesize a novel IMiD analog TD-106 that induces the degradation of IKZF1/3 and inhibits the proliferation of multiple myeloma cells in vitro as well as in vivo. Moreover, we demonstrate that TD-428, which comprises TD-106 linked to a BET inhibitor, JQ1 efficiently induce BET protein degradation in the prostate cancer cell line 22Rv1. Consequently, cell proliferation is inhibited due to suppressed C-MYC transcription. These results, therefore, firmly suggest that the newly synthesized IMiD analog, TD-106, is a novel CRBN modulator that can be used for targeted protein degradation.

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