CI-1040 9.5μM R08 exp472

Inhibits MEK1, blocks ERK1/2 activation

Class / Subclass 1: Signal Transduction / Kinase Inhibitor

Compound References

PubChem Name: 2-(2-Chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide
Synonyms: PD 184352
CAS #: 212631-79-3
PubChem CID: 6918454
IUPAC: 2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
INCHI Name: InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
INCHI Key: GFMMXOIFOQCCGU-UHFFFAOYSA-N
Molecular Weight: 478.7
Canonical SMILES: C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl
Isomeric SMILES: N/A
Molecular Formula: C17H14ClF2IN2O2

Compound Supplier

Supplier Name: Med Chem Express
Catalog #: HY-50295
Lot #: 24638

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C17H14ClF2IN2O2 478.98293; found 478.98354

Dose Response Curve

Platform ID: CI1040
Min: -9.8682; Max: 82.0211

IC	Concentration (µM)
IC10	5.5050
IC20	7.5830
IC30	9.3810
IC40	11.1700
IC50	13.1100
IC60	15.3800
IC70	18.3200
IC80	22.6600
IC90	31.2100

Screen Summary

Round: 08
Dose: 9.5µM
Days of incubation: 8
Doublings: 0.5
Numbers of reads: 13787972

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
0/24	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
PSMD2	-2.95	0.08
POLA1	-2.85	0.24
ATP8B2	-2.82	0.09
GTPBP4	-2.80	0.18
PRKAA1	-2.62	0.08
CBX4	-2.56	0.08
MSI2	-2.53	0.08
GGA3	-2.52	0.14
TRIM52	-2.41	0.19
RBM39	-2.39	0.49
MCM5	-2.38	0.29
SSH2	-2.35	0.25
FDX1L	-2.34	0.25
NUP160	-2.30	0.41
RBM26	-2.29	0.24
TCF3	-2.26	0.28
BRINP3	-2.23	0.22
STIL	-2.20	0.25
PCGF1	-2.19	0.24
DEPDC5	-2.16	0.27
GPRC5B	-2.15	0.24
MEF2D	-2.12	0.28
SMG7	-2.11	0.28
BCOR	-2.11	0.25
DDX21	-2.09	0.53
PAPSS1	-2.08	0.25
XRCC6	-2.08	0.29
YTHDF2	-2.07	0.25
DCK	-2.07	0.25
TINF2	-2.06	0.39
UBE2G2	2.26	0.08
ATP5J	2.28	0.05
C16orf70	2.31	0.05
N6AMT1	2.36	0.13
USP16	2.36	0.04
HSPH1	2.37	0.04
GFPT1	2.38	0.09
CASP9	2.41	0.03
CYCS	2.41	0.03
DPAGT1	2.46	0.05
APAF1	2.47	0.03
CCDC101	2.49	0.02
BAK1	2.54	0.02
MBTPS2	2.56	0.02
MARCH5	2.57	0.03
GFM1	2.57	0.05
HCCS	2.58	0.05
THG1L	2.59	0.02
TUFM	2.62	0.03
IBA57	2.66	0.02
YARS2	2.66	0.02
TP53	2.72	0.02
DOHH	2.78	0.02
ENY2	2.79	0.02
ATP5B	2.84	<0.01
ATP5C1	2.85	<0.01
NSD1	2.90	0.02
RPTOR	3.00	<0.01
PLAA	3.19	<0.01
FBXO11	3.33	<0.01

Screen	Correlation	Plot
Tanespimycin 14μM R08 exp527	0.131	View
Doxorubicin 0.02μM R08 exp478	0.13	View
Mitomycin-C 0.06μM R08 exp503	0.125	View
PU-H71 1μM R08 exp515	0.121	View
GSK-J4 1.5μM R08 exp441	0.119	View
THZ1 0.06μM R08 exp531	0.112	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.109	View
Rotenone 20μM R00 exp34	0.101	View
Etoposide 0.3μM R05 exp199	0.096	View
Thimerosal 0.85μM R08 exp529	0.089	View
TIC10 10μM R08 exp532	0.089	View
UM131593 0.2μM R03 exp106	0.085	View
Hippuristanol 0.12μM R08 exp488	0.085	View
Deferoxamine 11μM R07 exp350	0.082	View
MLN-4924 2μM R00 exp22	0.08	View
MS023 7μM R03 exp135	0.079	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.079	View
SNS-032 15μM R08 exp443	0.077	View
RO-3307 4.7μM R02 exp80	0.073	View
GSK461364A 0.1μM R03 exp126	0.073	View
Etoposide 1μM R00 exp19	0.072	View
Olaparib 4μM R08 exp512	0.07	View
UM0129480 7μM R02 exp85	0.067	View
CR131-b 0.005μM R08 exp474	0.066	View
Hydroxyurea 100μM R07 exp329	0.065	View
Vinblastine 0.2μM R03 exp108	0.063	View
Diepoxybutane 3μM R07 exp354	0.062	View
Staurosporine 0.02μM R08 exp524	0.061	View
JQ1 0.8μM R08 exp435	0.06	View
DABN racemic mixture R03 exp93	0.059	View
Quercetin 20μM R08 exp517	0.059	View
GSK626616 14μM R08 exp485	0.053	View
ONC212 0.15μM R08 exp513	0.051	View
Atovaquone 15μM R08 exp451	0.133	View
5-Fluorouracil 20μM R00 exp2	0.132	View
Benzoate 20000μM R08 exp456	0.13	View
Aphidicolin 0.4μM R08 exp440	0.126	View
Bleomycin 5μM R08 exp459	0.119	View
Actinomycin-D 0.001μM R00 exp3	0.11	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.101	View
42°C R08 exp539	0.099	View
AICAR 240μM R05 exp211	0.081	View
Ammonium tetrathiomolybdate 10μM R08 exp448	0.077	View
Artemisinin 50μM R08 exp450	0.07	View
AICAR 240μM R03 exp116	0.068	View
BI-2536 0.02μM R03 exp96	0.053	View

GO Term	Fold Change	Genes
apoptosome	552.30	APAF1,CASP9
activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c	331.38	APAF1,CYCS,CASP9
mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1)	276.15	ATP5F1C,ATP5F1B
glial cell apoptotic process	276.15	TP53,CASP9
proton-transporting ATP synthase complex, catalytic core F(1)	220.92	ATP5F1C,ATP5F1B
regulation of pentose-phosphate shunt	184.10	RPTOR,TP53
proton-transporting ATP synthase activity, rotational mechanism	118.35	ATP5F1C,ATP5F1B,ATP5PF
mitochondrial proton-transporting ATP synthase complex	110.46	ATP5F1C,ATP5F1B,ATP5PF
proton-transporting ATP synthase complex	103.56	ATP5F1C,ATP5F1B,ATP5PF
proton channel activity	75.31	ATP5F1C,ATP5F1B,ATP5PF
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress	50.21	TP53,BAK1,APAF1
transcription initiation-coupled chromatin remodeling	44.78	TP53,SGF29,N6AMT1
oxidative phosphorylation	22.32	ATP5F1C,ATP5F1B,CYCS,ATP5PF
intrinsic apoptotic signaling pathway	17.26	TP53,BAK1,APAF1,CYCS,CASP9
energy derivation by oxidation of organic compounds	14.16	ATP5F1C,ATP5F1B,TP53,CYCS,GFPT1,ATP5PF
response to endoplasmic reticulum stress	12.27	TP53,MBTPS2,BAK1,APAF1,UBE2G2
mitochondrial matrix	8.16	ATP5F1C,ATP5F1B,TP53,YARS2,IBA57,TUFM,GFM1
mitochondrial membrane	7.05	ATP5F1C,ATP5F1B,TUFM,THG1L,HCCS,MARCHF5,BAK1,CYCS,ATP5PF
mitochondrial envelope	6.62	ATP5F1C,ATP5F1B,TUFM,THG1L,HCCS,MARCHF5,BAK1,CYCS,ATP5PF

CI-1040 9.5μM R08 exp472

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results