Name: KB02-JQ1
Brand: BOC Sciences
Rating: 5 (1 reviews)

Size

Price

Stock

Quantity

$--

In stock

Purity

≥95%

Solubility

Soluble in DMSO

Appearance

Solid

Storage

Store at -20°C, stored under nitrogen, away from moisture

Shipping

Room temperature in continental US; may vary elsewhere.

IUPACName

N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-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]acetamide

Synonyms

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-4-(4-chlorophenyl)-2,3,9-trimethyl-, (6S)-; 2-{[1-(Chloroacetyl)-1,2,3,4-tetrahydro-6-quinolinyl]oxy}-N-(2-{2-[2-({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)ethoxy]ethoxy}ethyl)acetamide

Density

1.42±0.1 g/cm3 (Predicted)

InChI Key

XIYYDTXOEVAZGI-PMERELPUSA-N

InChI

InChI=1S/C38H43Cl2N7O6S/c1-23-24(2)54-38-35(23)36(26-6-8-28(40)9-7-26)43-30(37-45-44-25(3)47(37)38)20-32(48)41-12-15-51-17-18-52-16-13-42-33(49)22-53-29-10-11-31-27(19-29)5-4-14-46(31)34(50)21-39/h6-11,19,30H,4-5,12-18,20-22H2,1-3H3,(H,41,48)(H,42,49)/t30-/m0/s1

SMILES

CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCOCCOCCNC(=O)COC4=CC5=C(C=C4)N(CCC5)C(=O)CCl)C6=CC=C(C=C6)Cl)C

Biological Activity

KB02-JQ1 (5-40 μM; 24 hours; HEK293T cells) treatment shows concentration-dependent degradation of endogenous BRD4 in HEK293T cells.

Mechanism

E3 Ligase: KB02-JQ1 functions by recruiting the cereblon (CRBN) E3 ligase, facilitating the ubiquitination of its target proteins. This interaction leverages CRBN's substrate recognition domain to bring the target into proximity for efficient degradation.

Target Protein: The primary target of KB02-JQ1 is BRD4, a member of the BET family of bromodomain-containing proteins involved in transcriptional regulation. By engaging BRD4, KB02-JQ1 effectively modulates chromatin dynamics and transcriptional programs in cells.

Degradation Mechanism: KB02-JQ1 induces proteasomal degradation of BRD4 through the ubiquitin–proteasome system. The molecular glue stabilizes the ternary complex between CRBN and BRD4, promoting polyubiquitination and subsequent recognition by the 26S proteasome, leading to targeted protein clearance.

Applications

• Molecular Glue in Protein Interaction Modulation: KB02-JQ1 serves as a potent molecular glue, facilitating the stabilization of protein-protein interactions. This aids researchers in studying the dynamic interplay between proteins, providing insights into cellular processes and potential therapeutic targets.

• Targeted Degradation in Cancer Research: By promoting the degradation of oncogenic proteins, KB02-JQ1 enables targeted protein degradation studies. Researchers can explore its role in disrupting cancer cell proliferation, offering a pathway to novel anti-cancer strategies.

• Enhancing Proteolysis for Drug Discovery: KB02-JQ1's ability to induce selective proteolysis makes it a valuable tool in drug discovery. It helps identify and validate new drug targets by facilitating the degradation of disease-relevant proteins, streamlining the development of innovative treatments.

• Advancing Molecular Glue Mechanism Studies: KB02-JQ1 is instrumental in elucidating the mechanisms of molecular glue action. Researchers can investigate its binding properties and degradation pathways, contributing to a deeper understanding of its role in targeted protein degradation.

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C₁V₁ = C₂V₂