WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130291
CAS#: 2762181-19-9
Description: MS83 is a PROTAC that degrades BRD4 and BRD3, reducing the amount of protein in cells. MS83 was also found to display increased proliferative activity over previously established dBET1, a CRBN-recruiting PROTAC.
Hodoodo Cat#: H130291
Name: MS83
CAS#: 2762181-19-9
Chemical Formula: C52H55ClN10O8S2
Exact Mass: 1,046.33
Molecular Weight: 1,047.640
Elemental Analysis: C, 59.62; H, 5.29; Cl, 3.38; N, 13.37; O, 12.22; S, 6.12
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Synonym: MS83; MS 83; MS-83
IUPAC/Chemical Name: ethyl (S)-3-(7-(2-(2-(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)acetamido)acetamido)ethoxy)-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoate
InChi Key: IELFRNBYIDDQHB-QZNHJORUSA-N
InChi Code: InChI=1S/C52H55ClN10O8S2/c1-8-69-47(66)24-39(35-14-13-29(2)37(21-35)28-62-27-30(3)71-42-11-9-10-12-44(42)73(62,67)68)36-22-40-50(61(7)60-58-40)43(23-36)70-20-19-54-46(65)26-55-45(64)25-41-51-59-57-33(6)63(51)52-48(31(4)32(5)72-52)49(56-41)34-15-17-38(53)18-16-34/h9-18,21-23,30,39,41H,8,19-20,24-28H2,1-7H3,(H,54,65)(H,55,64)/t30-,39+,41+/m1/s1
SMILES Code: O=C(OCC)C[C@H](C1=CC(OCCNC(CNC(C[C@H]2C3=NN=C(C)N3C4=C(C(C)=C(C)S4)C(C5=CC=C(Cl)C=C5)=N2)=O)=O)=C(N(C)N=N6)C6=C1)C7=CC=C(C)C(CN8S(C9=CC=CC=C9O[C@H](C)C8)(=O)=O)=C7
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 1,047.64 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1. Wei J, Meng F, Park KS, Yim H, Velez J, Kumar P, Wang L, Xie L, Chen H, Shen Y, Teichman E, Li D, Wang GG, Chen X, Kaniskan HÜ, Jin J. Harnessing the E3 Ligase KEAP1 for Targeted Protein Degradation. J Am Chem Soc. 2021 Sep 22;143(37):15073-15083. doi: 10.1021/jacs.1c04841. Epub 2021 Sep 14. PMID: 34520194; PMCID: PMC8480205.