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CAS No. :	1801747-42-1
Formula :	C₁₆H₁₉Cl₂N₅
M.W :	352.26
SMILES Code :	NC1=NC(N2CCC(C)(N)CC2)=CN=C1C3=CC=CC(Cl)=C3Cl
MDL No. :	MFCD29059453
InChI Key :	YGUFCDOEKKVKJK-UHFFFAOYSA-N
Pubchem ID :	118238298

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

Mouse spleen T cells	3, 10, or 30 µM	1 hour	To measure the intracellular phosphatase activity of SHP2, results showed that SHP2 activity increased by approximately 40% after treatment with 30 mmol/L oleanolic acid.	PMC11143531
HB11;19	5 μM	1 hour	To study the effect of SHP099 on HB11;19 cells, results showed that the cells developed resistance to SHP099	PMC9177641
MGH049-1A	5 μM	14 days	To evaluate the effect of SHP099 in combination with ceritinib on cell proliferation, results showed that the combination significantly inhibited cell proliferation.	PMC6343825
MGH073-2B	5 μM	14 days	To evaluate the effect of SHP099 in combination with ceritinib on cell proliferation, results showed that the combination significantly inhibited cell proliferation.	PMC6343825
MGH065-1B	5 μM	14 days	To evaluate the effect of SHP099 in combination with ceritinib on cell proliferation, results showed that the combination significantly inhibited cell proliferation.	PMC6343825
MGH045-2A	5 μM	14 days	To evaluate the effect of SHP099 in combination with ceritinib on cell proliferation, results showed that the combination significantly inhibited cell proliferation.	PMC6343825
THP-1-derived macrophages	30 µM	2, 4, 6 hours	To investigate the effect of SHP099 on type I interferon signaling in THP-1-derived macrophages, results showed that SHP099 significantly increased the mRNA levels of CXCL10, IFIT1, IFIT2, ISG15 and the expression of IFN-β.	PMC8802865
BMDMs	500 mg/mL	2, 4, 6 hours	To investigate the effect of SHP2 deletion on type I interferon signaling in BMDMs, results showed that SHP2 deletion significantly increased the mRNA levels of Cxcl10, I?t1, I?t2, Isg15 and the expression of IFN-β.	PMC8802865
RAW264.7 cells	20 μM	24 hours	SHP099 inhibited LPS-induced M1 macrophage polarization, decreased the proportion of CD80+ cells, downregulated M1 macrophage-related inflammatory genes, and reduced the secretion of inflammatory cytokines TNF-α and IL-6.	PMC9293663
Bone marrow-derived macrophages (BMDMs)	20 μM	24 hours	SHP099 inhibited LPS-induced M1 macrophage polarization, decreased the proportion of CD80+ cells, downregulated M1 macrophage-related inflammatory genes, and reduced the secretion of inflammatory cytokines TNF-α and IL-6.	PMC9293663
Murine splenic CD8+ T cells	10 μM	24 hours	To evaluate the effect of SHP099 on the activation of CD8+ T cells, results showed that SHP099 significantly enhanced the production of GZMB and PRF in CD8+ T cells at a concentration of 10 μmol/L.	PMC6437555
Human peripheral blood mononuclear cells (PBMCs)	10 μM	24 hours	To evaluate the effect of SHP099 on human PBMCs, results showed that SHP099 significantly upregulated the mRNA levels of IFN-γ, GZMB, and PRF.	PMC6437555
HUVECs	5 μM	24 hours	To investigate the inhibitory effect of SHP099 on HUVECs, the results showed that SHP099 reversed the pro-proliferative effect of E2-treated endothelial cells on endometrial organoids.	PMC11538683
KRAS amplified gastric cancer cells	3, 5 or 10 µM	5 days	To evaluate the anti-proliferative effect of SHP099 in combination with GSK1120212 on KRAS amplified gastric cancer cells, results showed significant inhibition of cell proliferation	PMC6039276
H358 NSCLC cells	10 μM	7 days	To evaluate the effect of SHP099 in combination with MEK inhibitors on colony formation, results showed that cells expressing SHP099-resistant mutants did not respond to the combination treatment	PMC6170706
PDAC cell lines	10 μM	7 or 10 days	To evaluate the effect of SHP099 in combination with MEK inhibitors on cell proliferation and colony formation, results showed that the combination significantly inhibited cell proliferation and colony formation	PMC6170706
Kmt2d KO LUSC cells	0.559 μM, 0.310 μM, 1.165 μM (IC50)	72 hours	Evaluate the effect of SHP099 on the viability of Kmt2d KO LUSC cells, showing that these cells are highly sensitive to SHP099.	PMC10388706
KP cells	10 μM	72 hours	SHP099 significantly inhibited the MEK/ERK signaling pathway in KP cells and induced CXCL1 and CXCL5 expression.	PMC8758507
H1975 cells	10 μM	72 hours	SHP099 significantly inhibited the MEK/ERK signaling pathway in H1975 cells and induced GRO family gene expression.	PMC8758507
Neural progenitor cells (NPCs)	0.1 to 100 μM	72 hours	To evaluate the effects of SHP099 on the survival of neural progenitor cells, it was found that SHP099 significantly inhibited the survival of neural progenitor cells.	PMC6827835
GBM cell lines	0.1 to 100 μM	72 hours	To evaluate the effects of SHP099 on the survival of GBM cell lines, it was found that SHP099 significantly inhibited the survival of GBM cell lines.	PMC6827835
Patient-derived glioma stem-like cells (GSCs)	0.1 to 100 μM	72 hours	To evaluate the effects of SHP099 on the survival of patient-derived glioma stem-like cells, it was found that SHP099 significantly inhibited the survival of these cells.	PMC6827835
MV-4-11	2.5 μM	72 hours	To study the inhibitory effect of SHP099 on MV-4-11 cells, results showed that the cells developed resistance to SHP099	PMC9177641
MOLM-13	10 μM	72 hours	To study the inhibitory effect of SHP099 on MOLM-13 cells, results showed that the cells developed resistance to SHP099	PMC9177641
Alveolar macrophages	10-50 μM	Not used	To evaluate the effect of SHP099 on TBET ubiquitination in alveolar macrophages, results showed that 50 μM SHP099 significantly enhanced TBET ubiquitination levels.	PMC11126869
CT-26 cells	0.3 – 10 μM		To evaluate the effect of SHP099 on the viability of CT-26 cells, results showed that SHP099 did not significantly inhibit the viability of CT-26 cells at concentrations ranging from 0.3 – 10 μmol/L.	PMC6437555
Lin-negative bone marrow cells	0.1 μM	36~48 hours	SHP099 treatment of Tet2-KO Lin-negative bone marrow cells inhibits IL-6 induced cell survival	PMC6317370

129Sv/Ev mice	Anti-PD-1 resistant 344SQ NSCLC adenocarcinoma model	Oral	100 mg/kg	Starting from day 5, continued for 5 days on and 2 days off, until death	To evaluate the effect of SHP099 combined with radiotherapy and anti-PD-L1, results showed that the combination therapy significantly enhanced local and abscopal tumor control, reduced lung metastases, and improved mouse survival.	PMC10173258
NOD-SCID mice	KRAS amplified gastric cancer xenograft model	Oral	50 mg/kg	daily for 5 weeks	To evaluate the anti-tumor effect of SHP099 in combination with GSK1120212 on KRAS amplified gastric cancer xenograft models, results showed significant inhibition of tumor growth	PMC6039276
Mice	Kmt2d KO LUSC model	Oral	SHP099 75mpk, afatinib 10mpk	once daily, 5 days/week	Evaluate the effect of SHP099 and afatinib on the growth of Kmt2d KO LUSC tumors, showing that the combination therapy significantly inhibits tumor growth and prolongs survival.	PMC10388706
Mice	Capan-2, MIAPaCa-2 and H358 xenograft models	Oral	SHP099 75 mg/kg, trametinib 0.25 mg/kg	SHP099 daily, trametinib daily, for 37, 19, or 21 days	To evaluate the effect of SHP099 in combination with MEK inhibitors on tumor growth, results showed that the combination significantly inhibited tumor growth and reduced tumor cellularity and vascularity	PMC6170706
Mice	KP NSCLC allograft model	Oral gavage	75 mg/kg	once daily for 4 weeks	SHP099 significantly inhibited KP tumor growth, increased T-cell infiltration, but also increased granulocytic myeloid-derived suppressor cell (gMDSC) infiltration.	PMC8758507
Nu/Nu mice	Subcutaneous xenograft model	Oral	75 mg/kg SHP099, 25 mg/kg ceritinib	Daily, continuous treatment	To evaluate the effect of SHP099 in combination with ceritinib on tumor growth, results showed that the combination significantly inhibited tumor growth.	PMC6343825
C57BL/6J mice	orthotopic xenograft models	Oral gavage	100 mg/kg	Single dose, observed for 24 hours	To evaluate the pharmacokinetics of SHP099 in vivo and its antitumor effects on orthotopic xenograft models of glioblastoma, it was found that SHP099 reached effective concentrations in brain tissues and significantly inhibited tumor growth.	PMC6827835
C57BL/6 mice	MC38 colon cancer xenograft model	Oral	5 mg/kg	Once daily for 14 days	To evaluate the anti-tumor effect of SHP099 in the MC38 colon cancer xenograft model, results showed that SHP099 significantly reduced tumor volume and weight, and enhanced anti-tumor immune responses in the tumor microenvironment.	PMC8802865
Mice	TNBS-induced colitis model	Oral or intraperitoneal injection	5 mg/kg	Daily administration for 4 days	To verify whether the improvement of TNBS-induced colitis by oleanolic acid was dependent on SHP2, results showed that SHP099 eliminated the ameliorative effect of oleanolic acid.	PMC11143531
Mouse	inv(16)/ KitD816Y AML model		100 nmol/L	10 days	To study the effect of RMC-4550 on the inv(16)/ KitD816Y AML mouse model, results showed that combined treatment with RMC-4550 and BLU-285 significantly reduced AML clonogenic potential	PMC9177641
C57BL/6 mice	Destabilization of medial meniscus (DMM)-induced osteoarthritis model	Intra-articular injection	20 µmol/L	Twice a week for two weeks	SHP099 significantly attenuated DMM-induced osteoarthritis progression by inhibiting M1 macrophage polarization, including joint synovitis and cartilage damage.	PMC9293663
BALB/c mice	CT-26 colon cancer xenograft model	Intraperitoneal injection	5 mg/kg	Once daily, until the end of the experiment	To evaluate the effect of SHP099 on tumor growth in the CT-26 colon cancer xenograft model, results showed that SHP099 significantly reduced tumor volume and weight without affecting the overall health of the mice.	PMC6437555
Mice	Endometrial hyperplasia model	Subcutaneous injection	10 mg/kg	Once daily for 21 days	To investigate the inhibitory effect of SHP099 on endometrial hyperplasia in mice, the results showed that SHP099 significantly alleviated E2-induced endometrial hyperplasia.	PMC11538683

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CAS No.: 1801747-42-1

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CAS No.: 1801747-42-1

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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