CAS 97-18-7|Bithionol

Introduction：Basic information about CAS 97-18-7|Bithionol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Bithionol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles29
8. Synonyms

Common Name	Bithionol
CAS Number	97-18-7	Molecular Weight	356.052
Density	1.8±0.1 g/cm3	Boiling Point	444.7±45.0 °C at 760 mmHg
Molecular Formula	C₁₂H₆Cl₄O₂S	Melting Point	188°C
MSDS	ChineseUSA	Flash Point	222.8±28.7 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	bithionol
Synonym	More Synonyms

Bithionol BiologicalActivity

Description	Bithionol is a clinically approved anti-parasitic drug; has been shown to inhibit solid tumor growth in several preclinical cancer models.IC50 value:Target: anticaner agentBithionol caused dose dependent cytotoxicity against all ovarian cancer cell lines tested with IC50 values ranging from 19 μM - 60 μM. BT treatment resulted in cell cycle arrest at G1/M phase and increased ROS generation [1]. Both bithionol and bithionol sulphoxide demonstrated in vitro toxicity to Neoparamoeba spp. at all concentrations examined (0.1 to 10 mg l(-1) over 72 h), with a comparable toxicity to freshwater observed for both chemicals at concentrations > 5 mg l(-1) following a 72 h treatment [2].
Related Catalog	Signaling Pathways >>Anti-infection >>ParasiteResearch Areas >>Cancer
References	[1]. Ayyagari VN, et al. Bithionol inhibits ovarian cancer cell growth in vitro - studies on mechanism(s) of action. BMC Cancer. 2014 Feb 4;14:61. [2]. Florent RL, et al. In vitro toxicity of bithionol and bithionol sulphoxide to Neoparamoeba spp., the causative agent of amoebic gill disease (AGD). Dis Aquat Organ. 2010 Sep 17;91(3):257-62.

Description

Bithionol is a clinically approved anti-parasitic drug; has been shown to inhibit solid tumor growth in several preclinical cancer models.IC50 value:Target: anticaner agentBithionol caused dose dependent cytotoxicity against all ovarian cancer cell lines tested with IC50 values ranging from 19 μM - 60 μM. BT treatment resulted in cell cycle arrest at G1/M phase and increased ROS generation [1]. Both bithionol and bithionol sulphoxide demonstrated in vitro toxicity to Neoparamoeba spp. at all concentrations examined (0.1 to 10 mg l(-1) over 72 h), with a comparable toxicity to freshwater observed for both chemicals at concentrations > 5 mg l(-1) following a 72 h treatment [2].

Related Catalog

Signaling Pathways >>Anti-infection >>ParasiteResearch Areas >>Cancer

References

[1]. Ayyagari VN, et al. Bithionol inhibits ovarian cancer cell growth in vitro - studies on mechanism(s) of action. BMC Cancer. 2014 Feb 4;14:61.

[2]. Florent RL, et al. In vitro toxicity of bithionol and bithionol sulphoxide to Neoparamoeba spp., the causative agent of amoebic gill disease (AGD). Dis Aquat Organ. 2010 Sep 17;91(3):257-62.

Chemical & Physical Properties

Density	1.8±0.1 g/cm3
Boiling Point	444.7±45.0 °C at 760 mmHg
Melting Point	188°C
Molecular Formula	C₁₂H₆Cl₄O₂S
Molecular Weight	356.052
Flash Point	222.8±28.7 °C
Exact Mass	353.884247
PSA	65.76000
LogP	5.51
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.741
InChIKey	JFIOVJDNOJYLKP-UHFFFAOYSA-N
SMILES	Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Storage condition	0-6°C
Stability	Stable. Incompatible with strong oxidizing agents.
Water Solubility	<0.1 g/100 mL at 23 ºC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SN0525000

CHEMICAL NAME :: Phenol, 2,2'-thiobis(4,6-dichloro-

CAS REGISTRY NUMBER :: 97-18-7

BEILSTEIN REFERENCE NO. :: 2003535

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C12-H6-Cl4-O2-S

MOLECULAR WEIGHT :: 356.04

WISWESSER LINE NOTATION :: QR BG DG FSR BQ CG EG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 760 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,612,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01763 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12 gm/kg/78W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Blood - tumors

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB223-159

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302
Precautionary Statements	P301 + P312 + P330
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	Xn: Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S28-S36/37-S45-S36
RIDADR	UN 2811 6.1/PG 2
WGK Germany	3
RTECS	SN0525000
Packaging Group	II
Hazard Class	6.1(a)
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles29

An improved thyroid hormone reporter assay to determine the thyroid hormone-like activity of amiodarone, bithionol, closantel and rafoxanide.

Toxicol. Lett. 208(1) , 30-5, (2012)

A number of environmental chemicals have been reported to exhibit thyroid hormone-like activity. Since thyroid hormones play a crucial role in development, it is important to identify chemicals in the...

Determination of bithionol, bromophen, nitroxynil, oxyclozanide, and tribromsalan in milk with liquid chromatography coupled with tandem mass spectrometry.

J. AOAC Int. 93(4) , 1340-6, (2010)

LC/MS/MS was developed to determine the residues of bithionol (BTN), bromofen (BMF), nitroxynil (NTX), oxyclozanide (OCZ), and tribromsalan (TBS) in milk. Samples were extracted with ethyl acetate and...

Novel therapeutic strategy for neurodegeneration by blocking Aβ seeding mediated aggregation in models of Alzheimer's disease.

Neurobiol. Dis. 74 , 144-57, (2015)

Aβ accumulation plays a central role in the pathogenesis of Alzheimer's disease (AD). Recent studies suggest that the process of Aβ nucleated polymerization is essential for Aβ fibril formation, patho...

Synonyms

Phenol, 2,2'-thiobis(4,6-dichloro)-

Phenol, 2,2'-thiobis[4,6-dichloro-

Bitin

2-Hydroxy-3,5-dichlorophenyl sulfide

Bithionolate

2,2'-Thiobis[4,6-dichlorophenol]

2,2-DIMETHYL-7-ETHOXY-6-METHOXY-4-CHROMANONE

MFCD00055727

2,2'-Sulfanediylbis(4,6-dichlorophenol)

Bidiphen

2,2'-Thiobis- (4,6-dichlorophenol)

2,2’-thiobis[4,6-dichlorophenol]

Bithionol sulfide

Bithin

EINECS 202-565-0

2,2'-Thio-bis(4,6-dichlorophenol)

2,2'-Thiobis(4,6-dichlorophenol)

Bithionol

2,2'-Sulfanediylbis(4,6-dichlorphenol)

2,2’-sulfanediylbis(4,6-dichlorophenol)

Bitionol

Bis(2-hydroxy-3,5-dichlorophenyl)sulfide

2-Hydroxy-3,5-dichlorophenyl sulphide

2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol

bis (2-hydroxy-3,5-dichlorophenyl)-sulphide

bis(3,5-dichloro-2-hydroxy phenyl)-sulfide

Phenol, 2,2'-thiobis 4,6-dichloro-

2,2’-thiobis(4,6-dichlorophenol)

Lorothidol

Actamer

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