KB02-JQ1

 CAS No.: 2384184-44-3  Cat No.: BP-900065  Purity: ≥95% 4.5  

KB02-JQ1 is a highly selective and PROTAC-based BRD4 degrader (molecular glue), but does not degrade BRD2 or BRD3. JQ1 binds ubiquitin E3 ligase ligand KB02 via a linker to form KB02-JQ1. It promotes the degradation of BRD4 by covalently modifying DCAF16 (E3 ligase), and can improve the durability of protein degradation in biological systems.

KB02-JQ1

Structure of 2384184-44-3

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Category
Molecular Glue
Molecular Formula
C38H43Cl2N7O6S
Molecular Weight
796.76
Appearance
Solid

* For research and manufacturing use only. Not for human or clinical use.

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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
Canonical 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.

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L

* 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

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
g

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