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CAS No. :	1253491-42-7
Formula :	C₂₂H₁₆N₂O
M.W :	324.38
SMILES Code :	COC1=CC2=C(NC3=C2C=CN=C3C4=C5C=CC=CC5=CC=C4)C=C1
Synonyms :	AGN-PC-0D106I
MDL No. :	MFCD29059920
InChI Key :	AABFWJDLCCDJJN-UHFFFAOYSA-N
Pubchem ID :	59620153

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338

MDA-MB-231 cells	5 µg/mL	120 minutes	To evaluate the cellular uptake ability of SP141FcNP, results showed that SP141FcNP exhibited the best cellular uptake in all cell lines, and the addition of free Fc fragments significantly reduced the uptake of SP141FcNP.	J Control Release. 2016 Sep 10;237:101-14
MCF7 cells	5 µg/mL	120 minutes	To evaluate the cellular uptake ability of SP141FcNP, results showed that SP141FcNP exhibited the best cellular uptake in all cell lines, and the addition of free Fc fragments significantly reduced the uptake of SP141FcNP.	J Control Release. 2016 Sep 10;237:101-14
Caco2 cells	5 µg/mL	120 minutes	To evaluate the transepithelial transport ability of SP141FcNP, results showed that SP141FcNP had better transepithelial permeability (Papp = 29.1 × 10−5 cm/s) than both free SP141 (Papp = 7.0 × 10−5 cm/s) and non-targeted SP141NP (Papp = 15.5 × 10−5 cm/s).	J Control Release. 2016 Sep 10;237:101-14
Hep3B cells	100 µM	15-120 minutes	To evaluate the effect of SP-141 on MDM2 expression in Hep3B cells. Results showed no significant effect on [18F]1 uptake.	Pharmaceuticals (Basel). 2021 Apr 13;14(4):358
HepG2 cells	1-10 µM	21 hour	To evaluate the effect of SP-141 on MDM2 expression in HepG2 cells. Results showed a significant decrease in [18F]1 uptake (~68 %/mg protein vs. 18.5 %/mg protein).	Pharmaceuticals (Basel). 2021 Apr 13;14(4):358
MCF-7 cells	1-10 µM	21 hour	To evaluate the effect of SP-141 on MDM2 expression in MCF-7 cells. Results showed a significant decrease in [18F]1 uptake (≤18.5 ± 0.0 %/mg protein vs. 71.4 ± 0.0 %/mg protein).	Pharmaceuticals (Basel). 2021 Apr 13;14(4):358
DAOY	0.25–1 µM	24 hours	To evaluate the effects of SP-141 on MDM2, p53, and p21cip1 levels. Results showed significant reduction in MDM2, increased p53 and p21cip1 levels, G2/M cell cycle arrest, and marked apoptosis.	Cells. 2020 Jul 1;9(7):1592
U87MG	0.25–1 µM	24 hours	To evaluate the effects of SP-141 on MDM2, p53, and p21cip1 levels. Results showed significant reduction in MDM2, increased p53 and p21cip1 levels, G2/M cell cycle arrest, and marked apoptosis.	Cells. 2020 Jul 1;9(7):1592
Mia-Paca-2 cells	0.41 µM (IC50)	72 hours	SP141 inhibited Mia-Paca-2 cell growth with IC50 values of 0.38-0.50 μM, inducing apoptosis and G2/M phase arrest	Gastroenterology. 2014 Oct;147(4):893-902. e2
AsPC-1 cells	0.36 µM (IC50)	72 hours	SP141 inhibited AsPC-1 cell growth with IC50 values of 0.38-0.50 μM, inducing apoptosis and G2/M phase arrest	Gastroenterology. 2014 Oct;147(4):893-902. e2
Panc-1 cells	0.50 µM (IC50)	72 hours	SP141 inhibited Panc-1 cell growth with IC50 values of 0.38-0.50 μM, inducing apoptosis and G2/M phase arrest	Gastroenterology. 2014 Oct;147(4):893-902. e2
HPAC cells	0.38 µM (IC50)	72 hours	SP141 inhibited HPAC cell growth with IC50 values of 0.38-0.50 μM, inducing apoptosis and G2/M phase arrest	Gastroenterology. 2014 Oct;147(4):893-902. e2
MCF-10A	0-25 µM	72 hours	Evaluate the effect of SP-141 on normal breast epithelial cell viability, IC50 value of 11.74 μM	Nat Commun. 2014 Oct 1;5:5086
MDA-MB-435/p53 mt	0-25 µM	72 hours	Evaluate the effect of SP-141 on breast cancer cell viability, IC50 values of 0.39–0.91 μM	Nat Commun. 2014 Oct 1;5:5086
MDA-MB-231/p53 mt	0-25 µM	72 hours	Evaluate the effect of SP-141 on breast cancer cell viability, IC50 values of 0.39–0.91 μM	Nat Commun. 2014 Oct 1;5:5086
MDA-MB-468/p53 mutant (mt)	0-25 µM	72 hours	Evaluate the effect of SP-141 on breast cancer cell viability, IC50 values of 0.39–0.91 μM	Nat Commun. 2014 Oct 1;5:5086
MCF-7/p53 knockdown (KD)	0-25 µM	72 hours	Evaluate the effect of SP-141 on breast cancer cell viability, IC50 values of 0.39–0.91 μM	Nat Commun. 2014 Oct 1;5:5086
MCF-7	0-25 µM	72 hours	Evaluate the effect of SP-141 on breast cancer cell viability, IC50 values of 0.39–0.91 μM	Nat Commun. 2014 Oct 1;5:5086

Rice	Rice blast model	Spray	50 μM	Single treatment	Effective control of rice blast	Plant Commun. 2024 Feb 12;5(2):100724
Athymic mice	HepG2 tumor xenograft model	Intraperitoneal injection	1.2 mg/mouse	Single dose, 30 minutes before [18F]1 injection	To evaluate the effect of SP-141 on [18F]1 uptake in HepG2 tumor xenografts. Results showed no significant change in [18F]1 tumor uptake (3.2 ± 0.7 %ID/g vs. 3.0 ± 0.7 %ID/g).	Pharmaceuticals (Basel). 2021 Apr 13;14(4):358
Nude mice	Panc-1 and AsPC-1 xenograft and orthotopic models	Intraperitoneal injection	40 mg/kg/d	Once daily for 18 days (Panc-1 xenograft model) or 35 days (Panc-1 orthotopic model) or 25 days (AsPC-1 orthotopic model)	SP141 significantly inhibited Panc-1 xenograft tumor growth (75% reduction in tumor volume on Day 18) and led to almost complete regression of orthotopic tumors	Gastroenterology. 2014 Oct;147(4):893-902. e2
Nude mice	MCF-7 and MDA-MB-468 xenograft models	Intraperitoneal injection	40 mg/kg/day	5 days per week for 42 days (MCF-7 model) or 30 days (MDA-MB-468 model)	Evaluate the inhibitory effect of SP-141 on xenograft tumor growth, results showed SP-141 significantly inhibited tumor growth (~80%) with no apparent host toxicity	Nat Commun. 2014 Oct 1;5:5086
NCG mice	U87MG glioblastoma and DAOY medulloblastoma intracranial xenograft models	Intraperitoneal injection	40 mg/kg/day	5 days/week for 4 weeks	To evaluate the antitumor activity of SP-141 in vivo against glioblastoma and medulloblastoma. Results showed SP-141 significantly decreased tumor growth (4- to 9-fold) without discernible toxicity.	Cells. 2020 Jul 1;9(7):1592
Female athymic nude mice	MDA-MB-231 orthotopic tumor model	Oral gavage	80 or 160 mg/kg/day	5 days/week for 24 days	To evaluate the in vivo antitumor efficacy of SP141FcNP, results showed that SP141FcNP at doses of 80 and 160 mg/kg inhibited tumor growth by approximately 79% and 90%, respectively, with no apparent host toxicity observed.	J Control Release. 2016 Sep 10;237:101-14

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CAS No.: 1253491-42-7

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CAS No.: 1253491-42-7

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Bio Calculators
Preparing Stock Solutions		1mg	5mg	10mg
Preparing Stock Solutions	1 mM 5 mM 10 mM	3.08mL 0.62mL 0.31mL	15.41mL 3.08mL 1.54mL	30.83mL 6.17mL 3.08mL
Dissolving Methods	Animal experiment Please choose the appropriate dissolution scheme according to your animal administration guide.For the following dissolution schemes, clear stock solution should be prepared according to in vitro experiments, and then cosolvent should be added in turn: in order to ensure the reliability of the experimental results, the clarified stock solution can be properly preserved according to the storage conditions; The working fluid for in vivo experiment is recommended to be prepared now and used on the same day; The percentage shown in front of the following solvent refers to the volume ratio of the solvent in the final solution; If precipitation or precipitation occurs in the preparation process, it can be assisted by heating and/or ultrasound. Protocol 1 Protocol 2

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