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MedKoo Cat#: 130153 | Name: dBET21

Description:

WARNING: This product is for research use only, not for human or veterinary use.

dBET21 is a BET degrader. BET proteins, specifically alteration of the regulation of the proteins, play an important role in the development of certain types of cancers and inflammatory diseases, making BET a valuable target for treatment.

Chemical Structure

dBET21
dBET21
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130153

Name: dBET21

CAS#: N/A

Chemical Formula: 40H42ClN7O6S

Exact Mass: 783.2606

Molecular Weight: 784.33

Elemental Analysis: C, 61.25; H, 5.40; Cl, 4.52; N, 12.50; O, 12.24; S, 4.09

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
dBET21; dBET 21; dBET-21
IUPAC/Chemical Name
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-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)octyl)acetamide
InChi Key
QYTHDSMOGXMOPE-XLTVJXRZSA-N
InChi Code
InChI=1S/C40H42ClN7O6S/c1-22-23(2)55-40-33(22)35(25-13-15-26(41)16-14-25)43-28(36-46-45-24(3)47(36)40)21-32(50)42-19-8-6-4-5-7-9-20-54-30-12-10-11-27-34(30)39(53)48(38(27)52)29-17-18-31(49)44-37(29)51/h10-16,28-29H,4-9,17-21H2,1-3H3,(H,42,50)(H,44,49,51)/t28-,29?/m0/s1
SMILES Code
O=C(NCCCCCCCCOC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C6=C(SC(C)=C6C)N7C(C)=NN=C47
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
BET proteins play a key role in regulating cell proliferation and cell cycle progression, by recruiting transcriptional complexes through binding to acetylated lysine residues on histones.

Preparing Stock Solutions

The following data is based on the product molecular weight 784.33 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.

Recalculate based on batch purity %
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
1. Bhela IP, Ranza A, Balestrero FC, Serafini M, Aprile S, Di Martino RMC, Condorelli F, Pirali T. A Versatile and Sustainable Multicomponent Platform for the Synthesis of Protein Degraders: Proof-of-Concept Application to BRD4-Degrading PROTACs. J Med Chem. 2022 Nov 2;65(22):15282–99. doi: 10.1021/acs.jmedchem.2c01218. Epub ahead of print. PMID: 36323630; PMCID: PMC9706574.