JQ1 0.8μM R08 exp435

Inhibits BET bromodomain proteins BRD2, BRD3, BRD4, BRDT

Class / Subclass 1: Gene Regulation / Epigenetic Inhibitor

Compound References

PubChem Name: JQ1 compound
Synonyms: JQ1
CAS #: 1268524-70-4
PubChem CID: 46907787
IUPAC: tert-butyl 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]acetate
INCHI Name: InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
INCHI Key: DNVXATUJJDPFDM-KRWDZBQOSA-N
Molecular Weight: 457
Canonical SMILES: CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
Isomeric SMILES: CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
Molecular Formula: C23H25ClN4O2S

Compound Supplier

Supplier Name: Structural Genomics Consortium
Catalog #: N/A
Lot #: N/A

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C23H25ClN4O2S 457.14595; found 457.14708

Dose Response Curve

Platform ID: JQ1
Min: -10.4111; Max: 94.2087

IC	Concentration (µM)
IC10	0.1176
IC20	0.2393
IC30	0.3838
IC40	0.5651
IC50	0.8061
IC60	1.1500
IC70	1.6930
IC80	2.7150
IC90	5.5240

Screen Summary

Round: 08
Dose: 800nM
Days of incubation: 8
Doublings: 0.3
Numbers of reads: 17120718

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
21/47	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
BCL2	-4.09	<0.01
ATP6V0A2	-3.94	<0.01
UXS1	-3.42	<0.01
YPEL5	-3.26	<0.01
NELFB	-3.24	<0.01
RAD21	-3.17	<0.01
GPR107	-3.01	<0.01
PDS5B	-2.91	<0.01
ARL1	-2.77	<0.01
OTUB1	-2.76	0.02
TRIM52	-2.75	0.02
SLC39A9	-2.75	<0.01
SF3A1	-2.72	0.06
DIS3L	-2.72	0.02
MESDC1	-2.71	0.02
XAB2	-2.70	0.36
DNA2	-2.69	0.07
KPNB1	-2.69	0.11
GPX4	-2.69	0.01
ISCU	-2.67	0.12
ADNP	-2.54	0.02
CHTOP	-2.53	0.04
MAU2	-2.52	0.17
PSME3	-2.48	0.05
RAF1	-2.47	0.03
MEMO1	-2.46	0.03
PRMT7	-2.45	0.03
CDC73	-2.43	0.07
EPC1	-2.43	0.05
SART1	-2.41	0.22
MTIF3	2.51	0.03
CBX3	2.53	0.01
FAM26D	2.54	0.01
SLC4A7	2.55	0.02
AASDHPPT	2.61	0.01
KMT2D	2.61	0.01
MED23	2.62	0.01
RUNX1	2.63	0.01
PRRC2C	2.64	0.01
RBMX2	2.65	0.01
CYCS	2.65	<0.01
HCCS	2.67	0.03
ARPP21	2.67	<0.01
DDX55	2.67	0.01
VDAC2	2.77	<0.01
WDR82	2.80	0.03
SEC62	2.80	0.01
PIK3CD	2.88	<0.01
ZBTB18	2.92	<0.01
TRIM33	3.01	<0.01
CBFB	3.30	<0.01
ATIC	3.30	<0.01
MARCH5	3.33	<0.01
WDR77	3.48	<0.01
BCL2L11	3.49	<0.01
MAPKAP1	3.58	<0.01
BMF	3.64	<0.01
APAF1	3.65	<0.01
FBXO11	4.12	<0.01
BAK1	5.95	<0.01

Screen	Correlation	Plot
SNS-032 15μM R08 exp443	0.108	View
PU-H71 1μM R08 exp515	0.097	View
Mitomycin-C 0.06μM R08 exp503	0.096	View
Milciclib 2μM R08 exp502	0.091	View
Palbociclib 1μM R07 exp382	0.087	View
THZ1 0.06μM R08 exp531	0.086	View
Staurosporine 0.02μM R08 exp524	0.084	View
MS023 7μM R03 exp135	0.082	View
TIC10 10μM R08 exp532	0.076	View
MS023 2μM R03 exp134	0.072	View
Rotenone 20μM R00 exp34	0.072	View
Olaparib 4μM R08 exp512	0.07	View
Thimerosal 0.85μM R08 exp529	0.07	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.068	View
Monensin 0.3μM R08 exp507	0.062	View
LY2090314 0.003μM R08 exp500 no dilution day6	0.062	View
Trimetrexate 0.03μM R08 exp535	0.062	View
UM131593 0.2μM R03 exp106	0.061	View
LY2090314 0.003μM R08 exp499	0.059	View
Lead acetate 2000μM R08 exp497	0.058	View
Tanespimycin 14μM R08 exp527	0.057	View
iCRT14 30μM R08 exp492	0.055	View
RO-3307 4.7μM R02 exp80	0.052	View
Aphidicolin 0.4μM R08 exp440	0.122	View
AICAR 240μM R03 exp116	0.09	View
Atovaquone 15μM R08 exp451	0.086	View
5-Fluorouracil 20μM R00 exp2	0.08	View
Hippuristanol 0.12μM R08 exp488	0.08	View
CR131-b 0.005μM R08 exp474	0.079	View
Dorsomorphin 5μM R07 exp357	0.075	View
Benzoate 20000μM R08 exp456	0.075	View
Doxorubicin 0.02μM R08 exp478	0.072	View
BVD-523 15μM R02 exp67	0.071	View
Bleomycin 5μM R08 exp459	0.071	View
Actinomycin-D 0.001μM R00 exp3	0.068	View
AICAR 240μM R05 exp211	0.066	View
Etoposide 1μM R00 exp19	0.064	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.064	View
Ethanol 0.01 R05 exp234	0.064	View
Artemisinin 50μM R08 exp450	0.061	View
Cryptotanshinone 12μM R05 exp227	0.06	View
CI-1040 9.5μM R08 exp472	0.06	View
GSK626616 14μM R08 exp485	0.055	View
BML-284 0.09μM R08 exp460	0.055	View
GSK-J4 1.5μM R08 exp441	0.055	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.054	View
42°C R08 exp539	0.053	View
CB-5083 0.4μM R08 exp468	0.053	View
Hydroxyurea 100μM R07 exp329	0.053	View
Etoposide 0.3μM R05 exp199	0.052	View
Deferoxamine 11μM R07 exp350	0.052	View
Dinaciclib 0.007μM R07 exp355	0.052	View

JQ1 0.8μM R08 exp435

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results