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CAS No. :	1001264-89-6
Formula :	C₂₄H₃₂ClN₅O₂
M.W :	458.00
SMILES Code :	O=C(N1CCN(C2=C([C@H](C)C[C@H]3O)C3=NC=N2)CC1)[C@@H](C4=CC=C(Cl)C=C4)CNC(C)C
Synonyms :	GDC-0068; RG7440
MDL No. :	MFCD22124514
InChI Key :	GRZXWCHAXNAUHY-NSISKUIASA-N
Pubchem ID :	24788740

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

MOLM-13	75nM	24 h	To validate selinexor’s ability to activate PI3K/AKT signaling, results showed increased AKT phosphorylation.	PMC9949365
OCI-AML2	200nM	24 h	To validate selinexor’s ability to activate PI3K/AKT signaling, results showed increased AKT phosphorylation.	PMC9949365
PC3 cells	500 nM		Inhibited translation of HGF, SPP1, and BGN	PMC11331482
Pten-sh TC1 cells	500 nM		Inhibited translation of HGF, SPP1, and BGN	PMC11331482
BS-004	0.25–10 μM	72 h	GDC-0068 showed only a minor reduction in cell viability in the PIK3CA-wildtype cell line BS-004.	PMC6827829
MDA-MB-231 BrM2	0.25–10 μM	72 h	GDC-0068 showed only a minor reduction in cell viability in the PIK3CA-wildtype cell line MDA-MB-231 BrM2.	PMC6827829
JIMT-1 BR-3	0.25–10 μM	72 h	GDC-0068 showed modest reduction in cell viability in the PIK3CA-mutant cell line JIMT-1 BR-3.	PMC6827829
MDA-MB-453	0.25–10 μM	72 h	GDC-0068 significantly decreased cell viability in the breast cancer cell line MDA-MB-453, with an IC50 of 0.322 μM.	PMC6827829
MDA-MB-361	0.25–10 μM	72 h	GDC-0068 significantly decreased cell viability in the PIK3CA-MT breast cancer brain metastatic cell line MDA-MB-361, with an IC50 of 2.83 μM.	PMC6827829
LNCaP cells	5 μM		To study the mechanism of ipatasertib resistance, it was found that resistant cells showed increased sensitivity to PIM inhibitors	PMC9019088
U87 cells	1 mM		To evaluate the effect of Ipatasertib on the Nrf2 signaling pathway in IDH1-mutated and wild-type U87 cells, results showed that Ipatasertib suppressed the expression of Nrf2-related genes.	PMC10073324
NHA cells	1 μM		To evaluate the effect of AKT inhibitor Ipatasertib on IDH1-mutated and wild-type NHA cells, results showed that IDH1-mutated cells were more sensitive to Ipatasertib.	PMC10073324
Hec-1B cells	10 μM	72 h	To investigate the inhibitory effect of Ipatasertib in combination with ascorbate on the proliferation of Hec-1B cells. Results showed that Ipatasertib alone significantly inhibited cell proliferation, and the combination with ascorbate produced a more potent inhibitory effect.	PMC11844297
KLE cells	10 μM	72 h	To investigate the inhibitory effect of Ipatasertib in combination with ascorbate on the proliferation of KLE cells. Results showed that Ipatasertib alone significantly inhibited cell proliferation, and the combination with ascorbate produced a more potent inhibitory effect.	PMC11844297
HCT116	10 μM	0, 6, 12, and 24 h	To study the effect of Ipatasertib on the expression of Akt, FoxO3a, p65, and PUMA, the results showed that Ipatasertib significantly inhibited the phosphorylation of Akt, while activating FoxO3a and p65, and upregulating the expression of PUMA.	PMC6125489
HCT116	10 μM	12 and 24 h	To study the effect of Ipatasertib on colon cancer cell proliferation, the results showed that Ipatasertib significantly inhibited the proliferation of HCT116, p53−/−, and DLD1 cells, indicating that p53 is dispensable in this process.	PMC6125489

Mice	MLL-AF9-driven AML model	Oral	65mg/kg	Every other day, for five cycles	To evaluate the effect of ipatasertib combined with selinexor, results showed that the combination significantly prolonged the survival of mice.	PMC9949365
Mice	Ptenpc−/−; Trp53pc−/− prostate cancer model	Oral	100 mg/kg	Daily for six weeks	Inhibited tumor growth, reduced tumor-infiltrating PMN-MDSCs, and increased CD8+ T cells	PMC11331482
Mice	PIK3CA-mutant breast cancer brain metastasis orthotopic xenograft model	Oral gavage	100 mg/kg	Daily until the date of death of the last control mouse	In the PIK3CA-mutant MDA-MB-361 breast cancer brain metastasis model, GDC-0068 significantly inhibited tumor growth and significantly extended the survival of mice, with a median survival of 109 days compared to 82.5 days in the control group.	PMC6827829
Mice	LNCaP prostate cancer xenograft model	Oral	25 mg/kg	Once daily for 21 days	To evaluate the effect of combined treatment with ipatasertib and PIM inhibitors on resistant tumors, it was found that the combination significantly inhibited tumor growth	PMC9019088
CB-17 Scid mice	TS603 xenograft model	Gavage	40 mg/kg	Once on day 15 and day 30	To evaluate the effect of Ipatasertib combined with TMZ on IDH-mutated TS603 xenograft model, results showed that the combination treatment significantly prolonged the survival of the mice.	PMC10073324
Nude mice	Xenograft model	Oral	30 mg/kg	Once daily for 15 consecutive days	To study the antitumor activity of Ipatasertib in vivo, the results showed that Ipatasertib significantly inhibited the growth of WT tumors, but had less effect on PUMA?/? tumors, indicating that PUMA is indispensable for the antitumor effect of Ipatasertib.	PMC6125489

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CAS No.: 1001264-89-6

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CAS No.: 1001264-89-6

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NCT03341884	Hepatic Insufficiency	PHASE1	COMPLETED	2018-06-26	Clinical Pharmacology of Miami... More >>, Inc., Miami, Florida, 33014, United States\|New Orleans Center for Clinical Research, Knoxville, Tennessee, 37920, United States\|American Research Corporation Inc., San Antonio, Texas, 78215, United States Less <<
NCT04467801	NSCLC Stage IV\|NSCLC Stage III... More >>B Less <<	PHASE2	RECRUITING	2025-08-25	The University of Kansas Cance... More >>r Center (KUCC), Fairway, Kansas, 66205, United States\|The University of Kansas Cancer Center, Westwood Campus, Kansas City, Kansas, 66205, United States\|The University of Kansas Cancer Center, Overland Park Clinic, Overland Park, Kansas, 66210, United States\|The University of Kansas Cancer Center, North Clinic, Kansas City, Missouri, 64154, United States\|The University of Kansas Cancer Center, Lee's Summit Clinic, Lee's Summit, Missouri, 64064, United States Less <<
NCT04341259	Solid Tumors	PHASE1	COMPLETED	2023-04-06	Fudan University Shanghai Canc... More >>er Center, Shanghai City, 200120, China Less <<
NCT01090960	Solid Cancers	PHASE1	COMPLETED	2025-02-15	Barcelona, 08035, Spain\|Valenc... More >>ia, 46010, Spain Less <<

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