Bleomycin 5μM R08 exp459

Induces DNA strand breaks, possibly by iron chelation and ROS generation, or generation of alkali-labile lesions

Class / Subclass 1: DNA Damage, Repair and Replication / Clastogen

Compound References

PubChem Name: Bleomycin sulfate
Synonyms: N/A
CAS #: 9041-93-4
PubChem CID: 72466
IUPAC: 3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;hydrogen sulfate
INCHI Name: InChI=1S/C55H83N17O21S3.H2O4S/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t21?,22?,23?,24?,25?,29-,30+,34?,35?,36?,37+,38+,39-,40-,41?,42-,43-,53+,54-;/m0./s1
INCHI Key: WUIABRMSWOKTOF-OCBSMOPSSA-N
Molecular Weight: 1512.6
Canonical SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]
Isomeric SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]
Molecular Formula: C55H85N17O25S4

Compound Supplier

Supplier Name: Med Chem Express
Catalog #: HY-17565
Lot #: 27306

Compound Characterization

HRMS (ESI-TOF) m/z: (M)+ Calcd for C55H84N17O21S3 1414.51898; found 1414.51692

Dose Response Curve

Platform ID: Bleomycin
Min: -9.4082; Max: 78.5072

IC	Concentration (µM)
IC10	0.8983
IC20	1.7420
IC30	2.7040
IC40	3.8790
IC50	5.4010
IC60	7.5210
IC70	10.7900
IC80	16.7500
IC90	32.4800

Screen Summary

Round: 08
Dose: 5µM
Days of incubation: 8
Doublings: -0.2
Numbers of reads: 14879101

Sensitive/Resistant hits (FDR<0.05)	CRANKS	Score Plot	Top 30 Genes	Screen Similarity	Top 30 Sensitive GO terms	Top 30 Resistant GO terms
0/57	Scores	View	View	View	View	View

Gene	CRANKS Score	FDR
SMG1	-2.89	0.06
ZFYVE20	-2.79	0.13
GPX4	-2.71	0.06
UBE4B	-2.65	0.06
CHMP2A	-2.61	0.26
MUL1	-2.52	0.13
OSBP	-2.50	0.13
PSMD14	-2.46	0.54
MTCH2	-2.45	0.24
PRMT1	-2.34	0.34
ZNF880	-2.34	0.13
QSER1	-2.33	0.13
ZBTB10	-2.32	0.13
MDM2	-2.29	0.31
DDX21	-2.29	0.54
EXOSC4	-2.27	0.31
HPS4	-2.22	0.21
DNM2	-2.21	0.54
NRL	-2.20	0.21
ABRA	-2.12	0.31
TMEM202	-2.12	0.26
CPSF2	-2.09	0.54
TP53BP2	-2.07	0.31
RND1	-2.07	0.31
PSMD1	-2.06	0.47
TMEM174	-2.04	0.34
ATXN1	-2.03	0.54
BRIX1	-2.02	0.35
PSMD6	-2.02	0.54
RBM7	-2.02	0.51
METAP2	2.61	0.03
SLC4A7	2.62	0.01
FBXO11	2.62	<0.01
HSPD1	2.66	<0.01
MARCH5	2.74	<0.01
ATP5A1	2.74	0.02
KCTD5	2.76	<0.01
RABIF	2.77	<0.01
METAP1	2.83	<0.01
VDAC2	2.83	<0.01
TRIAP1	2.85	0.01
THG1L	2.86	<0.01
RHOA	2.88	<0.01
TP53	2.92	<0.01
TLE4	3.04	<0.01
DOHH	3.15	<0.01
SPOP	3.21	0.00
EXOC2	3.24	0.00
RPTOR	3.41	0.00
RIC8A	3.44	0.00
ENY2	3.62	0.00
MED16	3.65	0.00
GMPPB	3.67	0.01
FAF2	3.81	0.00
UBQLN1	4.09	0.00
GNA13	4.38	0.00
PLAA	4.40	0.00
ATP2B1	4.75	0.00
BAK1	6.61	0.00
GJC1	7.08	0.00

Screen	Correlation	Plot
Doxorubicin 0.02μM R08 exp478	0.152	View
Mitomycin-C 0.06μM R08 exp503	0.15	View
Etoposide 0.3μM R05 exp199	0.15	View
THZ1 0.06μM R08 exp531	0.142	View
SNS-032 15μM R08 exp443	0.127	View
Pimelic-diphenylamide-106 5μM R00 exp28	0.121	View
MS023 7μM R03 exp135	0.119	View
CI-1040 9.5μM R08 exp472	0.119	View
Staurosporine 0.02μM R08 exp524	0.115	View
RO-3307 4.7μM R02 exp80	0.105	View
Etoposide 1μM R00 exp19	0.1	View
Rotenone 20μM R00 exp34	0.099	View
Tanespimycin 14μM R08 exp527	0.096	View
PU-H71 1μM R08 exp515	0.095	View
Hippuristanol 0.12μM R08 exp489 no dilution day6	0.092	View
Olaparib 4μM R08 exp512	0.09	View
GSK461364A 0.1μM R03 exp126	0.087	View
Hippuristanol 0.12μM R08 exp488	0.083	View
UM131593 0.2μM R03 exp106	0.08	View
UM0129480 7μM R02 exp85	0.075	View
CR131-b 0.005μM R08 exp474	0.074	View
JQ1 0.8μM R08 exp435	0.071	View
MS023 2μM R03 exp134	0.071	View
Dorsomorphin 5μM R07 exp357	0.07	View
MLN-4924 2μM R00 exp22	0.068	View
GSK626616 14μM R08 exp485	0.064	View
Dinaciclib 0.007μM R07 exp355	0.063	View
CB-5083 0.4μM R08 exp468	0.061	View
Thimerosal 0.85μM R08 exp529	0.061	View
Milciclib 2μM R08 exp502	0.057	View
Vinblastine 0.2μM R03 exp108	0.055	View
LY2090314 0.003μM R08 exp500 no dilution day6	0.052	View
Benzoate 20000μM R08 exp456	0.166	View
Actinomycin-D 0.001μM R00 exp3	0.119	View
5-Fluorouracil 20μM R00 exp2	0.115	View
Atovaquone 15μM R08 exp451	0.11	View
6-Thio-2-deoxyguanosine 2μM R06 exp259	0.109	View
Aphidicolin 0.4μM R08 exp440	0.1	View
Ammonium tetrathiomolybdate 10μM R08 exp448	0.085	View
AICAR 240μM R05 exp211	0.079	View
Artemisinin 50μM R08 exp450	0.079	View
42°C R08 exp539	0.067	View
BI-6727 0.04μM R03 exp98	0.065	View
BI-2536 0.02μM R03 exp96	0.063	View
AICAR 240μM R03 exp116	0.055	View

Bleomycin 5μM R08 exp459

Mechanism of Action

Technical Notes

Compound References

Compound Supplier

Compound Characterization

Dose Response Curve

Screen Summary

Screen Results