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CAS No. :	54857-86-2
Formula :	C₁₉H₃₂O₄
M.W :	324.46
SMILES Code :	O=C(C1=CC=C(OCCCCCCCCCCCCCC)O1)O
MDL No. :	MFCD01726059
InChI Key :	CZRCFAOMWRAFIC-UHFFFAOYSA-N
Pubchem ID :	115175

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

Daudi cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
P493-6 cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
4188 cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
CD8+ T cells	1 µM	5 days	Inhibited CD8+ T cell proliferation	J Transl Med. 2023 Jul 4;21(1):434.
CD8+ T cells	1 µM		Decreased IFN-γ, granzyme B, perforin levels	J Transl Med. 2023 Jul 4;21(1):434.
CD8+ T cells	1 µM	24 hours	Reduced CD69 membrane expression	J Transl Med. 2023 Jul 4;21(1):434.
K562 cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
Ramos cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
BSC40 cells	154 µM	16 hours	To evaluate the impact of TOFA on vaccinia virus yield. Results showed TOFA significantly inhibited viral yield by 95-fold, with partial rescue (8-fold) provided by exogenous palmitate.	PLoS Pathog. 2014 Mar 20;10(3):e1004021.
PBMCs	0.08–2 µM	2 days	TOFA reversed Th17/Treg imbalance and inhibited IL-2–induced STAT1/3 phosphorylation.	JCI Insight. 2022 Dec 8;7(23):e162335.
HEK-293T cells	5 µM	23 hours	Combination of TOFA with pimozide significantly enhanced antiviral effects.	Nat Commun. 2016 May 12;7:11320.
PBMCs	0.08–10 µM	24 hours	TOFA cytotoxicity was assessed using a CCK8 assay, and we found no substantial cytotoxicity of the drug when concentrations less than 10 μM were used.	JCI Insight. 2022 Dec 8;7(23):e162335.
CCRF-CEM cells	0.3, 1, 3, 10 μg/mL	24-48 hours	Inhibition of lipogenesis leads to apoptosis	Cancer Metab. 2021 Aug 16;9(1):31.
Human bone marrow-derived stromal cells (hBMSCs)	200, 400, or 800 nM	3 days	Under non-inflammatory conditions, Tofa treatment significantly decreased the gene expression of Runx2 and Dlx5 (p <0.05) and increased the gene expression of PPAR g2, C/EBPa, and Perilipin 1 (p <0.05). Under inflammatory conditions, Tofa limited the negative effect of TNF a on BMAd differentiation (p <0.05).	Front Endocrinol (Lausanne). 2022 Jul 6;13:881699.
Human naive CD4 T cells	10 µM	4 days	TOFA significantly increased IL-9 production by inhibiting ACC1 and reduced the proportion of Foxp3+ cells. Exogenous oleic acid restored IL-9 levels in TOFA-treated cells.	Front Immunol. 2024 Dec 23;15:1509408.
Normal human epidermal keratinocytes (NHEKs)	1 µM	48 hours	Inhibited production and secretion of CXCL9 and CXCL10	J Transl Med. 2023 Jul 4;21(1):434.
U2OS cells	10 µM	48 hours	TOFA inhibited lipid accumulation, promoted early slippage, reduced cellular stress and enhanced survival of antimitotic-treated cells	Cell Death Discov. 2018 Nov 27;4:109.
Rheumatoid arthritis fibroblast-like synoviocytes (RA-FLS)	2.5 µM	48 hours	Investigate the effects of TOFA on gene expression in RA-FLS, showing that TOFA primarily downregulated gene expression, affecting interferon signaling pathways.	Arthritis Res Ther. 2024 Oct 11;26(1):178.
U87 cells	39.98 µM (IC50)	5 days	TOFA showed an IC50 value of 39.98 µM for U87 cells, indicating inhibitory effects on TMZ-sensitive cells.	Acta Pharmacol Sin. 2023 Mar;44(3):670-679.
U87R cells	7.51 µM (IC50)	5 days	TOFA showed an IC50 value of 7.51 µM for U87R cells, indicating inhibitory effects on TMZ-resistant cells.	Acta Pharmacol Sin. 2023 Mar;44(3):670-679.
HeLa cells	25 µM	7 hours	TOFA significantly reduced viral RNA synthesis and release, with no significant effect on cell viability.	Nat Commun. 2016 May 12;7:11320.

Sprague-Dawley rats	Cecal ligation and perforation (CLP)-induced sepsis model	Intragastric administration	1 mg/kg, 3 mg/kg, 10 mg/kg	Every 6 hours for 7 days	To evaluate the effect of TOFA on the survival rate of septic rats and its role in acute lung injury. The results showed that TOFA (10 mg/kg) significantly improved the survival rate of septic rats and reduced lung histopathological damage and inflammatory factor expression	J Inflamm (Lond). 2023 Feb 3;20(1):5
New Zealand white rabbits	Experimental rheumatoid arthritis (e-RA)	Oral	10 mg/kg	Once daily for two weeks	To evaluate the effect of JAK inhibitors on muscle remodeling in an experimental RA model. TOFA significantly improved muscle mass and structural parameters, reduced the expression of muscle atrophy-related genes, and increased creatine kinase (CK) levels in muscle.	Int J Mol Sci. 2023 Aug 24;24(17):13181
New Zealand white rabbits	Antigen-induced arthritis model	Oral gavage	10 mg/kg	Once daily for 2 weeks	To investigate the early effects of TOFA on intra-joint JAK/STAT-dependent signaling during flare-up reactions in arthritis. Results showed that TOFA partially improved synovitis, reduced levels of pSTAT1 and SOCS1, but had no effect on pSTAT3 or SOCS3.	J Inflamm (Lond). 2019 Jan 29;16:2
C57BL/6 mice	Adult Mice footpad injection model	Intraperitoneal injection	25 mg/kg	Pretreated for at least 3 days before infection and assessed 18 h p.i.	TOFA significantly reduced CHIKV replication.	Nat Commun. 2016 May 12;7:11320.
C57BL6/J mice	GPx1/2-DKO Mice model	Oral	30 mg/kg	Once daily for 6 or 13 days	To evaluate the efficacy of TOFA on very-early-onset ileocolitis in GPx1/2-DKO mice. Results showed that TOFA significantly inhibited crypt apoptosis and increased crypt density, but did not affect Mice growth.	Life Sci. 2019 Dec 15;239:116884
C57BL/6 mice	Vitiligo Mice model	Intraperitoneal injection	5 mg/kg	Once every other day for five weeks	Alleviated the extent of depigmentation and reduced CD8+ T cell skin infiltration	J Transl Med. 2023 Jul 4;21(1):434.
Mice	NSG mice	Intraperitoneal injection	5.5 μg/ml	4 days	Inhibition of lipogenesis delays tumor progression	Cancer Metab. 2021 Aug 16;9(1):31.
Lewis rats	Fisher-to-Lewis rat model of kidney transplantation	Oral (mixed with food)	50 mg/kg and 100 mg/kg	From the third week post-transplantation until the end of the study (12 weeks)	TOFA prolonged graft survival, preserved tubular and glomerular structures and reduced humoral damage characterized by C4d deposition. TOFA was able to reduce donor-specific antibodies. In addition, T and natural killer (NK) cell graft infiltration was reduced in TOFA-treated rats.	Transplantation. 2018 Jul;102(7):1075-1084

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CAS No.: 54857-86-2

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CAS No.: 54857-86-2

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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