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2-phenylethyl isothiocyanate, beta-phenylethyl isothiocyanate, PEITC, phenethyl isothiocyanate, phenethylisothiocyanate, phenylethyl isothiocyanate

No.	Title	Href
1	Phenethyl isothiocyanate synergistically induces apoptosis with Gefitinib in non-small cell lung cancer cells via endoplasmic reticulum stress-mediated degradation of Mcl-1. Mol Carcinog. 2020 Jun;59(6):590-603. doi: 10.1002/mc.23184.	`Click`
2	Phenethyl isothiocyanate and dasatinib combination synergistically reduces hepatocellular carcinoma growth via cell cycle arrest and oxeiptosis. Front Pharmacol. 2023 Oct 4;14:1264032. doi: 10.3389/fphar.2023.1264032.	`Click`
3	Combination of Phenethyl Isothiocyanate and Dasatinib Inhibits Hepatocellular Carcinoma Metastatic Potential through FAK/STAT3/Cadherin Signalling and Reduction of VEGF Secretion. Pharmaceutics. 2023 Sep 27;15(10):2390. doi: 10.3390/pharmaceutics15102390.	`Click`
4	Phenethyl isothiocyanate and irinotecan synergistically induce cell apoptosis in colon cancer HCT 116 cells in vitro. Environ Toxicol. 2024 Jan;39(1):457-469. doi: 10.1002/tox.23993.	`Click`
5	Phenethyl isothiocyanate in combination with dibenzoylmethane inhibits the androgen-independent growth of prostate cancer cells. Food Funct. 2018 Apr 25;9(4):2398-2408. doi: 10.1039/c7fo01983a.	`Click`
6	Cisplatin in combination with Phenethyl Isothiocyanate (PEITC), a potential new therapeutic strategy for malignant pleural mesothelioma. Oncotarget. 2014 Nov 30;5(22):11641-52. doi: 10.18632/oncotarget.2604.	`Click`

No.

Title

Href

Phenethyl isothiocyanate synergistically induces apoptosis with Gefitinib in non-small cell lung cancer cells via endoplasmic reticulum stress-mediated degradation of Mcl-1. Mol Carcinog. 2020 Jun;59(6):590-603. doi: 10.1002/mc.23184.

Click

Phenethyl isothiocyanate and dasatinib combination synergistically reduces hepatocellular carcinoma growth via cell cycle arrest and oxeiptosis. Front Pharmacol. 2023 Oct 4;14:1264032. doi: 10.3389/fphar.2023.1264032.

Click

Combination of Phenethyl Isothiocyanate and Dasatinib Inhibits Hepatocellular Carcinoma Metastatic Potential through FAK/STAT3/Cadherin Signalling and Reduction of VEGF Secretion. Pharmaceutics. 2023 Sep 27;15(10):2390. doi: 10.3390/pharmaceutics15102390.

Click

Phenethyl isothiocyanate and irinotecan synergistically induce cell apoptosis in colon cancer HCT 116 cells in vitro. Environ Toxicol. 2024 Jan;39(1):457-469. doi: 10.1002/tox.23993.

Click

Phenethyl isothiocyanate in combination with dibenzoylmethane inhibits the androgen-independent growth of prostate cancer cells. Food Funct. 2018 Apr 25;9(4):2398-2408. doi: 10.1039/c7fo01983a.

Click

Cisplatin in combination with Phenethyl Isothiocyanate (PEITC), a potential new therapeutic strategy for malignant pleural mesothelioma. Oncotarget. 2014 Nov 30;5(22):11641-52. doi: 10.18632/oncotarget.2604.

Click

Name	Phenethyl isothiocyanate
PubChem CID	16741
Molecular Weight	163.24g/mol
Synonyms	2-phenylethyl isothiocyanate, beta-phenylethyl isothiocyanate, PEITC, phenethyl isothiocyanate, phenethylisothiocyanate, phenylethyl isothiocyanate
Formula	C₉H₉NS
SMILES	C1=CC=C(C=C1)CCN=C=S
InChI	1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey	IZJDOKYDEWTZSO-UHFFFAOYSA-N
CAS Number	2257-09-2
ChEMBL ID	CHEMBL151649
ChEBI ID	CHEBI:351346
Drug Bank ID	DB12695
Toxicity	Organism	Test Type	Route(Dose)
	rat	LD50	intraperitoneal(165 mg/kg)
	mouse	LD50	intraperitoneal(254 mg/kg)
	rat	LD50	oral(322 mg/kg)
Structure			Download 2D MOL 3D MOL

Chineses Pinyin	DouBanCai
Use Part	Whole herb
Flavor	Sweet
Species	>Kingdom: Viridiplantae 　-->Phylum: Streptophyta 　　-->Class: Equisetopsida 　　　-->Order: Brassicales 　　　　-->Family: Brassicaceae 　　　　　-->Genus: Nasturtium 　　　　　　-->Species: Nasturtium officinale

Pair Name	Phenethyl isothiocyanate, Gefitinib
Partner Name	Gefitinib
Disease Info	[ICD-11: 2C25]	Lung cancer		Investigative
Biological Phenomena	Induction-->Endoplasmic reticulum stress
Gene Regulation	Up-regulation	Cleavage	CASP8	hsa841
	Down-regulation	Expression	DDIT3	hsa1649
	Up-regulation	Phosphorylation	EIF2AK3	hsa9451
	Up-regulation	Phosphorylation	EIF2S1	hsa1965
	Down-regulation	Expression	MCL1	hsa4170
	Up-regulation	Cleavage	PARP1	hsa142
	Down-regulation	Expression	PMAIP1	hsa5366
In Vitro Model	NCI-H1299	Lung large cell carcinoma	Homo sapiens (Human)	CVCL_0060
In Vitro Model	SK-MES-1	Lung squamous cell carcinoma	Homo sapiens (Human)	CVCL_0630
In Vivo Model	NCI‐H1299 cells were subcutaneouslyinjected into the flank of mice.Mice were randomly divided into four groups (four mice pergroup) when the tumor size reached approximately 10 mm3.
Result	We explored the prospect of PEITC in improving the efficacy of targeted drug therapy and demonstrated the synergistic effects and underlined mechanisms of PEITC combined with Gefitinib in NSCLC cells treatment. This study provided useful information for developing novel therapy strategies by combination treatment of PEITC with targeted drugs.

Pair Name	Phenethyl isothiocyanate, Dasatinib
Partner Name	Dasatinib
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Induction-->Blockade of cell cycle in G2/M phase
Gene Regulation	Up-regulation	Phosphorylation	AIFM1	hsa9131
	Down-regulation	Expression	CCNB1	hsa891
	Down-regulation	Expression	CDK1	hsa983
	Down-regulation	Expression	KEAP1	hsa9817
	Up-regulation	Cleavage	PGAM5	hsa192111
In Vitro Model	Hep-G2	Hepatoblastoma	Homo sapiens (Human)	CVCL_0027
In Vitro Model	Hepa 1-6	Hepatocellular carcinoma of the mouse	Mus musculus (Mouse)	CVCL_0327
In Vivo Model	Hepa 1-6 cells (5×10⁶ cells in 100 µL MEM) were injected subcutaneously in the right flank of 40 9–10-week-old female C57BL6 mice.
Result	PEITC showed to enhance dasatinib action in treating HCC with increased production of ROS that induced cell cycle arrest followed by mitotic catastrophe, and to induce oxeiptosis. These results highlight the role that ITCs may have in cancer therapy as a complement of clinically approved chemotherapeutic drugs

Pair Name	Phenethyl isothiocyanate, Dasatinib
Partner Name	Dasatinib
Disease Info	[ICD-11: 2C12]	Hepatocellular carcinoma		Investigative
Biological Phenomena	Inhibition-->Angiogenesis
Gene Regulation	Up-regulation	Expression	CDH1	hsa999
	Down-regulation	Expression	CDH2	hsa1000
	Down-regulation	Phosphorylation	PTK2	hsa5747
	Down-regulation	Phosphorylation	STAT3	hsa6774
	Down-regulation	Expression	VEGFA	hsa7422
In Vitro Model	Hep-G2	Hepatoblastoma	Homo sapiens (Human)	CVCL_0027
In Vitro Model	Hepa 1-6	Hepatocellular carcinoma of the mouse	Mus musculus (Mouse)	CVCL_0327
Result	The inhibition of FAK/STAT3 signalling led to increased E-cadherin expression and reduced VEGF secretion, reducing HCC metastatic potential. Therefore, a combination of PEITC and dasatinib could be a potential therapeutic strategy for the treatment of HCC.

Pair Name	Phenethyl isothiocyanate, Irinotecan
Partner Name	Irinotecan
Disease Info	[ICD-11: 2B90]	Colon cancer		Investigative
Biological Phenomena	Induction-->Endoplasmic reticulum stress
Gene Regulation	Up-regulation	Expression	BAD	hsa572
	Up-regulation	Expression	BAK1	hsa578
	Down-regulation	Expression	BCL2	hsa596
	Up-regulation	Phosphorylation	CAMK2G	hsa818
	Up-regulation	Expression	CASP3	hsa836
	Up-regulation	Expression	CASP8	hsa841
	Up-regulation	Expression	CASP9	hsa842
	Up-regulation	Expression	CYCS	hsa54205
	Up-regulation	Phosphorylation	EIF2AK3	hsa9451
	Up-regulation	Expression	EIF2S1	hsa1965
	Up-regulation	Expression	FAS	hsa355
	Up-regulation	Expression	HSPA5	hsa3309
	Up-regulation	Expression	PARP1	hsa142
	Down-regulation	Expression	XIAP	hsa331
In Vitro Model	HCT 116	Colon carcinoma	Homo sapiens (Human)	CVCL_0291
Result	PEITC potentiates IRI anticancer activity by promoting cell apoptosis in the human colon HCT 116 cells. Thus, PEITC may be a potential enhancer for IRI in humans as an anticolon cancer drug in the future.

Pair Name	Phenethyl isothiocyanate, Dibenzoylmethane
Partner Name	Dibenzoylmethane
Disease Info	[ICD-11: 2C82]	Prostate cancer		Investigative
Biological Phenomena	Induction-->Apoptosis
Gene Regulation	Down-regulation	Phosphorylation	AKT1	hsa207
	Down-regulation	Expression	BIRC5	hsa332
	Down-regulation	Activity	CDH13	hsa1012
In Vitro Model	PC-3	Prostate carcinoma	Homo sapiens (Human)	CVCL_0035
	DU145	Prostate carcinoma	Homo sapiens (Human)	CVCL_0105
	VCaP	Prostate carcinoma	Homo sapiens (Human)	CVCL_2235
In Vivo Model	For a xenograft model, 2×10⁶ VCaP cells per 0.1 ml suspended in a mixture of Matrigel and RPMI 1640 medium (1 : 1) were injected subcutaneously into the back of the mice.
Result	Our results indicate that administration of DBM and PEITC in combination may be an effective strategy for inhibiting/delaying the progression of prostate cancer to androgen independence.

Pair Name	Phenethyl isothiocyanate, Cisplatin
Partner Name	Cisplatin
Disease Info	[ICD-11: 2C26.0]	Pleural mesothelioma		Investigative
Biological Phenomena	Induction-->ROS generation
In Vitro Model	Meso4	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso11	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso13	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso34	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso47	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso56	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso96	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso76	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
	Meso152	The mesothelioma cell was established from pleural fluids of patients	Homo sapiens (Human)	N.A.
Result	The combination of cisplatin with the natural compound PEITC induces a strong MPM cell death, while remaining safe for PMC, with limited emergence of cell resistance compared to drugs used alone