Nedisertib (Peposertib) | DNA-PK inhibitor

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CAS No. :	1637542-33-6
Formula :	C₂₄H₂₁ClFN₅O₃
M.W :	481.91
SMILES Code :	O[C@@H](C1=CC(C2=C3C=CC(N4CCOCC4)=CC3=NC=N2)=C(F)C=C1Cl)C5=NN=C(OC)C=C5
Synonyms :	M3814; Peposertib; MSC2490484A
MDL No. :	MFCD31619234

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

HeLa cells	1 mM	1 hour	To study the binding mode of Nedisertib with DNA-PKcs and reveal its molecular mechanism as a selective DNA-PKcs inhibitor	PMC8791830
SKNBE-2 cells	1 μM	14 days	To evaluate the effect of Nedisertib in combination with LuTate on the sensitivity of SKNBE-2 cells. Results showed that the combination of 20 MBq/mL LuTate and 1 μM Nedisertib reduced cell survival to less than 20%.	PMC10526672
AR42J cells	0.5 μM or 1 μM	14 days	To evaluate the effect of Nedisertib in combination with LuTate on the sensitivity of AR42J cells. Results showed that Nedisertib enhanced the cytotoxic effect of LuTate, but the effect was less pronounced than in H1299-7 cells.	PMC10526672
H1299-7 cells	0.5 μM or 1 μM	14 days	To evaluate the effect of Nedisertib in combination with LuTate on the sensitivity of H1299-7 cells. Results showed that Nedisertib significantly enhanced the cytotoxic effect of LuTate, especially when combined with 10 MBq/mL LuTate and 1 μM Nedisertib, reducing cell survival to less than 0.01%.	PMC10526672
NCI-H460	1 μM	17 days	To evaluate the cytotoxic effect of peposertib on NCI-H460 cells, results showed that 1 μM peposertib alone had no discernable effect on clonogenic survival, but when combined with IR (2 Gy), there was a significant loss of clonogenic survival.	PMC9588747
A549	1 μM	17 days	To evaluate the cytotoxic effect of peposertib on A549 cells, results showed that 1 μM peposertib alone had no discernable effect on clonogenic survival, but when combined with IR (2 Gy), there was a significant loss of clonogenic survival.	PMC9588747
KPC2	1 μM	25 hours	To evaluate the radiosensitizing effect of M3814 on KPC2 cells, results showed that M3814 significantly enhanced radiation-induced cell death.	PMC9262824
Panc1	1 μM	25 hours	To evaluate the radiosensitizing effect of M3814 on Panc1 cells, results showed that M3814 significantly enhanced radiation-induced cell death.	PMC9262824
CT26 cells	10 μM	30 minutes	To evaluate the effect of M3814 on the radiosensitivity of CT26 cells, results showed that M3814 significantly reduced cell viability and increased the proportion of γH2AX-positive cells indicating DNA damage.	PMC8850661
SW837 cells	10 μM	30 minutes	To evaluate the effect of M3814 on the radiosensitivity of SW837 cells, results showed that M3814 significantly reduced cell viability and increased the proportion of γH2AX-positive cells indicating DNA damage.	PMC8850661
UPCI-SCC-154	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing significant G2/M accumulation in HPV+ cells	PMC11791480
UM-SCC-104	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing significant G2/M accumulation in HPV+ cells	PMC11791480
UD-SCC-2	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing significant G2/M accumulation in HPV+ cells	PMC11791480
UM-SCC-14A	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing significant G2/M accumulation in p53-mutated cells	PMC11791480
UM-SCC-10B	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing significant G2/M accumulation in p53-mutated cells	PMC11791480
UM-SCC-74A	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing no substantial G2/M accumulation in p53 WT cells	PMC11791480
UM-SCC-17B	300 nM	30 minutes	Assessed the effect of DNA-PKcs inhibition on cell cycle distribution, showing no substantial G2/M accumulation in p53 WT cells	PMC11791480
THP-1	1 µM	4 hours	To evaluate the effect of M3814 on IR-induced p53 target gene expression. Results showed that M3814 did not enhance p53 target gene expression in p53-deficient cells.	PMC8190296
MV4-11	1 µM	4 hours	To evaluate the effect of M3814 on IR-induced p53 target gene expression. Results showed that M3814 enhanced the expression of p53 target genes.	PMC8190296
MOLM-13	1 µM	4 hours	To evaluate the effect of M3814 on IR-induced p53 apoptotic signaling. Results showed that M3814 enhanced the ATM/p53 signaling pathway, leading to increased p53 protein levels and transcriptional activity.	PMC8190296
697 cells	0.5 μM, 1 μM, 1.5 μM	48 hours	To study the effect of Nedisertib on V(D)J recombination, results showed significant reduction in coding joint formation at 1 μM and 1.5 μM concentrations	PMC7184946
U2OS	5 μM	5 days	To evaluate the effect of peposertib on MMEJ reporter activity, results showed that peposertib treatment increased MMEJ reporter activity.	PMC9588747
LMS05	400 nM	6 days	To evaluate the effect of peposertib on LMS cell viability, results showed that peposertib significantly reduced the viability of LMS cells.	PMC10841464
LMS04	400 nM	6 days	To evaluate the effect of peposertib on LMS cell viability, results showed that peposertib significantly reduced the viability of LMS cells.	PMC10841464
LMS03	400 nM	6 days	To evaluate the effect of peposertib on LMS cell viability, results showed that peposertib significantly reduced the viability of LMS cells.	PMC10841464
HEK293/ABCG2-WT	1 µM	72 hours	M3814 can significantly reverse ABCG2-mediated multidrug resistance, increasing the intracellular accumulation of ABCG2 substrate drugs such as mitoxantrone and doxorubicin.	PMC7235170
A549/MX10	1 µM	72 hours	M3814 can significantly reverse ABCG2-mediated multidrug resistance, increasing the intracellular accumulation of ABCG2 substrate drugs such as mitoxantrone and doxorubicin.	PMC7235170
NCI-H460/MX20	1 µM	72 hours	M3814 can significantly reverse ABCG2-mediated multidrug resistance, increasing the intracellular accumulation of ABCG2 substrate drugs such as mitoxantrone and doxorubicin.	PMC7235170
SKNBE-2 cells	1 μM	4 hours	Evaluate the cytotoxic effect of LuTate on SKNBE-2 cells, showing significant reduction in cell survival at 10 MBq/mL and 20 MBq/mL concentrations, with enhanced effect when combined with DNA-PK inhibitor nedisertib.	PMC10526672
AR42J cells	0.5 μM or 1 μM	4 hours	Evaluate the cytotoxic effect of LuTate on AR42J cells, showing significant reduction in cell survival at 5 MBq/mL and 10 MBq/mL concentrations, with enhanced effect when combined with DNA-PK inhibitor nedisertib.	PMC10526672

NRG mice	TP53 mutant ovarian tumors (DF59 PDX model)	Oral	100 mg/kg	Once daily for 4 weeks	To evaluate the in vivo antitumor effect of combined peposertib and NVB treatment on TP53 mutant ovarian tumors, results showed that NVB monotherapy significantly inhibited tumor growth, while peposertib monotherapy had no significant effect, but the combination therapy further enhanced tumor growth inhibition.	PMC9588747
NMRI-nu mice	Subcutaneous xenograft model	Oral	100 mg/kg	Five consecutive days	Evaluated the effect of DNA-PKcs inhibition combined with radiotherapy on tumor growth, showing more durable responses in HPV+ UD-SCC-2 xenografts	PMC11791480
BALB/c nude mice	H1299-7 and AR42J xenograft models	Oral	150 mg/kg	Once daily for 6 consecutive days	To evaluate the effect of Nedisertib in combination with LuTate on tumor growth and survival. Results showed that the combination therapy significantly inhibited tumor growth and prolonged survival. In the H1299-7 model, the combination extended median survival to 30 days; in the AR42J model, the combination extended median survival to 35 days.	PMC10526672
C57BL/6 mice	MT4 pancreatic cancer model	Oral	25 mg/kg	Administered 1 hour before radiation on day 0, followed by administration alone on days 1-4	To evaluate the antitumor efficacy of M3814 combined with radiation in the mT4 pancreatic cancer model, results showed that the combination therapy significantly inhibited tumor growth.	PMC9262824
NRG mice	AML patient-derived xenograft model	Oral gavage	25 mg/kg	Twice daily for 14 days	To evaluate the efficacy of M3814 in combination with CPX-351 for AML treatment. Results showed that the combination treatment significantly reduced AML cell burden without increasing hematopoietic toxicity.	PMC8190296
BALB/c mice	CT26 subcutaneous tumor model	Oral gavage	50 mg/kg	5 days per week for 2 weeks	To evaluate the effect of M3814 in combination with standard treatment on the CT26 subcutaneous tumor model, results showed that M3814 significantly increased the clinical complete response rate but did not significantly affect the pathological complete response rate.	PMC8850661
Mice	LMS04 xenograft and LMSPDX1 PDX models	Peposertib oral, doxorubicin intravenous	peposertib 100 mg/kg BID, doxorubicin 0.5–1 mg/kg qw	Peposertib twice daily, doxorubicin once weekly, until tumor volume exceeded 2000 mm3	To evaluate the efficacy of combination therapy with peposertib and low-dose doxorubicin in LMS mouse models, results showed that the combination therapy significantly inhibited tumor growth.	PMC10841464

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CAS No.: 1637542-33-6

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CAS No.: 1637542-33-6

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Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed