PU-H71 1μM R08 exp515

Inhibits HSP90

Class / Subclass 1: Proteostasis / Chaperone Inhibitor

Compound References

PubChem Name: 9H-Purine-9-propanamine, 6-amino-8-((6-iodo-1,3-benzodioxol-5-yl)thio)-N-(1-methylethyl)-
Synonyms: N/A
CAS #: 873436-91-0
PubChem CID: 9549213
IUPAC: 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine
INCHI Name: InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)
INCHI Key: SUPVGFZUWFMATN-UHFFFAOYSA-N
Molecular Weight: 512.4
Canonical SMILES: CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N
Isomeric SMILES: N/A
Molecular Formula: C18H21IN6O2S

Compound Supplier

Supplier Name: Med Chem Express
Catalog #: HY-11038
Lot #: 11903

Compound Characterization

HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C18H21IN6O2S 513.05641; found 513.05687

Dose Response Curve

Platform ID: PUH71
Min: 4.2971; Max: 84.0737

IC	Concentration (µM)
IC10	0.0125
IC20	0.0672
IC30	0.2051
IC40	0.5121
IC50	1.1860
IC60	2.7460
IC70	6.8570
IC80	20.9400
IC90	112.3000

Screen Summary

Round: 08
Dose: 1µM
Days of incubation: 8
Doublings: 0.1
Numbers of reads: 18116362

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
10/26	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
NPRL3	-3.40	<0.01
RPSA	-3.15	0.11
TSC1	-3.14	<0.01
KPTN	-2.95	<0.01
TXNIP	-2.90	<0.01
TCF3	-2.84	0.04
NPRL2	-2.72	0.05
WAPAL	-2.69	0.04
COG4	-2.65	0.03
EIF3L	-2.65	0.06
SF3A1	-2.64	0.11
EIF3K	-2.62	0.03
SZT2	-2.59	0.04
DONSON	-2.52	0.17
PSMB4	-2.52	0.06
POLR2G	-2.49	0.11
PDS5B	-2.49	0.04
NUDC	-2.45	0.11
CFLAR	-2.44	0.05
C12orf66	-2.43	0.08
ARL1	-2.41	0.05
GPX4	-2.40	0.05
SKIV2L2	-2.40	0.15
COPA	-2.39	0.22
RBM39	-2.37	0.32
POLR1A	-2.36	0.12
NELFB	-2.35	0.11
SLC5A3	-2.32	0.07
OSBP	-2.31	0.11
CDC20	-2.26	0.19
CEP44	2.37	0.04
GMPPB	2.39	0.24
URM1	2.41	0.03
C12orf65	2.46	0.02
FH	2.47	0.07
EIF3F	2.51	0.04
CYCS	2.55	0.02
APAF1	2.56	0.02
RAB10	2.56	0.02
EIF4A1	2.59	0.03
TEFM	2.59	0.02
KMT2D	2.62	0.02
TAZ	2.70	0.09
CASP9	2.74	<0.01
POLR3C	2.76	0.02
ATP5E	2.77	0.03
CMC2	2.78	0.08
C17orf89	2.78	<0.01
RPTOR	2.79	0.02
ALAS1	2.80	0.05
TRIAP1	2.90	0.02
N6AMT1	2.92	0.03
OPA1	2.94	<0.01
DARS2	2.95	0.07
HCCS	3.11	<0.01
ATP5J	3.14	<0.01
THG1L	3.25	<0.01
FBXO11	3.27	<0.01
PLAA	4.19	<0.01
BAK1	4.52	<0.01

Screen	Correlation	Plot
Thimerosal 0.85μM R08 exp529	0.121	View
Tanespimycin 14μM R08 exp527	0.115	View
SNS-032 15μM R08 exp443	0.094	View
Staurosporine 0.02μM R08 exp524	0.091	View
THZ1 0.06μM R08 exp531	0.089	View
TIC10 10μM R08 exp532	0.083	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.077	View
Rotenone 20μM R00 exp34	0.066	View
UM131593 0.2μM R03 exp106	0.066	View
UM0125461 0.74μM R02 exp84	0.063	View
Quercetin 20μM R08 exp517	0.062	View
UM0129480 7μM R02 exp85	0.061	View
RO-3307 4.7μM R02 exp80	0.058	View
Tubacin 1.6μM R07 exp416	0.051	View
Vinblastine 0.2μM R03 exp108	0.051	View
CI-1040 9.5μM R08 exp472	0.121	View
Mitomycin-C 0.06μM R08 exp503	0.118	View
42°C R08 exp539	0.11	View
Doxorubicin 0.02μM R08 exp478	0.106	View
Aphidicolin 0.4μM R08 exp440	0.1	View
JQ1 0.8μM R08 exp435	0.097	View
GSK-J4 1.5μM R08 exp441	0.097	View
CR131-b 0.005μM R08 exp474	0.095	View
Bleomycin 5μM R08 exp459	0.095	View
Benzoate 20000μM R08 exp456	0.095	View
Artemisinin 50μM R08 exp450	0.091	View
Hydroxyurea 100μM R07 exp329	0.09	View
Etoposide 0.3μM R05 exp199	0.089	View
Etoposide 1μM R00 exp19	0.089	View
5-Fluorouracil 20μM R00 exp2	0.086	View
Actinomycin-D 0.001μM R00 exp3	0.083	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.083	View
Hippuristanol 0.12μM R08 exp488	0.081	View
Atovaquone 15μM R08 exp451	0.081	View
∆-9-Tetrahydrocannabinol 30μM R08 exp445	0.08	View
Hinokiflavone 12μM R08 exp487	0.076	View
CB-5083 0.4μM R08 exp468	0.074	View
AICAR 240μM R05 exp211	0.071	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.07	View
GSK461364A 0.1μM R03 exp126	0.07	View
MS023 7μM R03 exp135	0.069	View
BVD-523 15μM R02 exp67	0.065	View
MLN-4924 2μM R00 exp22	0.063	View
Milciclib 2μM R08 exp502	0.061	View
ONC212 0.15μM R08 exp513	0.061	View
Monensin 0.3μM R08 exp507	0.06	View
Olaparib 4μM R08 exp512	0.059	View
MS023 2μM R03 exp134	0.058	View
LLY-283 2.6μM R06 exp290	0.058	View
Deferoxamine 11μM R07 exp350	0.057	View
Dorsomorphin 5μM R07 exp357	0.056	View
BI-6727 0.04μM R03 exp98	0.056	View
BI-D1870 3.15μM R02 exp66	0.056	View
DABN 20μM R00 exp17	0.053	View
Ammonium tetrathiomolybdate 10μM R08 exp448	0.052	View
MLN-4924 0.2μM R00 exp21	0.052	View

GO Term	Fold Change	Genes
GATOR1 complex	591.75	NPRL3,NPRL2
negative regulation of TORC1 signaling	72.16	NPRL3,TSC1,KPTN,NPRL2,SZT2
cellular response to amino acid starvation	49.31	NPRL3,KPTN,NPRL2,SZT2
response to amino acid starvation	46.41	NPRL3,KPTN,NPRL2,SZT2
negative regulation of TOR signaling	44.83	NPRL3,TSC1,KPTN,NPRL2,SZT2
regulation of TORC1 signaling	34.40	NPRL3,TSC1,KPTN,NPRL2,SZT2
regulation of TOR signaling	21.92	NPRL3,TSC1,KPTN,NPRL2,SZT2
cellular response to starvation	17.30	NPRL3,TSC1,KPTN,NPRL2,SZT2
response to starvation	14.09	NPRL3,TSC1,KPTN,NPRL2,SZT2

GO Term	Fold Change	Genes
apoptosome	552.30	CASP9,APAF1
activation of cysteine-type endopeptidase activity involved in apoptotic process by cytochrome c	331.38	CASP9,APAF1,CYCS
mitochondrial fusion	78.90	BAK1,THG1L,OPA1
aerobic respiration	19.59	ATP5PF,ATP5F1E,TEFM,CYCS,FH
cellular respiration	16.34	ATP5PF,ATP5F1E,TEFM,CYCS,FH
regulation of cysteine-type endopeptidase activity	14.77	BAK1,TRIAP1,CASP9,APAF1,CYCS
mitochondrial envelope	7.35	BAK1,THG1L,ATP5PF,HCCS,OPA1,TRIAP1,ALAS1,ATP5F1E,CYCS,MRPS35
mitochondrial membrane	7.05	BAK1,THG1L,ATP5PF,HCCS,OPA1,ALAS1,ATP5F1E,CYCS,MRPS35

PU-H71 1μM R08 exp515

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results