JB-11 isethionate

Modify Date: 2024-01-10 10:17:09

JB-11 isethionate structure	Common Name	JB-11 isethionate
	CAS Number	82935-04-4	Molecular Weight	495.54900
	Density	N/A	Boiling Point	647ºC at 760mmHg
	Molecular Formula	C₂₁H₂₉N₅O₇S	Melting Point	N/A
	MSDS	N/A	Flash Point	345.1ºC

Use of JB-11 isethionate

Trimetrexate (CI-898) isethionate is an antibiotic, also a potent and orally active dihydrofolate reductase (DHFR) inhibitor, reducing the production of DNA and RNA precursors and leading to cell death, with IC50 values of 4.74 nM and 1.35 nM for human DHFR and Toxoplasma gondii DHFR. Trimetrexate isethionate can also inhibit the growth of various cancer cells. Trimetrexate isethionate can be used for researching Pneumocystis carinii pneumonia (PCP) and cancer[1][2][3][4][5].

Name	Ethanesulfonic acid, 2-hydroxy-, compd. with 5-methyl-6-[[(3,4,5-trimethoxyphenyl)amino]methyl]-2,4-quinazolinediamine (1_1)

Description	Trimetrexate (CI-898) isethionate is an antibiotic, also a potent and orally active dihydrofolate reductase (DHFR) inhibitor, reducing the production of DNA and RNA precursors and leading to cell death, with IC50 values of 4.74 nM and 1.35 nM for human DHFR and Toxoplasma gondii DHFR. Trimetrexate isethionate can also inhibit the growth of various cancer cells. Trimetrexate isethionate can be used for researching Pneumocystis carinii pneumonia (PCP) and cancer[1][2][3][4][5].
Related Catalog	Research Areas >> Cancer Research Areas >> Infection Signaling Pathways >> Cell Cycle/DNA Damage >> Antifolate Signaling Pathways >> Cell Cycle/DNA Damage >> DNA/RNA Synthesis Signaling Pathways >> Anti-infection >> Bacterial
Target	Toxoplasma gondii
In Vitro	Trimetrexate isethionate (0.1 μM; 18 h) completely inhibits proliferation of toxoplasma in murine macrophages[3]. Trimetrexate isethionate (1 μM) can cross the toxoplasma cell membrane and rapidly reaches high intracellular concentrations (108 pmol/107 cells within 10 min) [3]. Trimetrexate (0.1 mM; 24 h) inhibits cell growth by 50-60% in SNU-C4 and NCI-H630 cell lines[5]. Trimetrexate (1 and 10 mM; 24 h) produces lethality and inhibits DHFR in C4 cells[5]. Cell Proliferation Assay[5] Cell Line: SNU-C4 and NCI-H630 Concentration: 0.1 mM Incubation Time: 24 h Result: Inhibited cell growth by 50-60% in both cell lines. Cell Proliferation Assay[5] Cell Line: C4 cells Concentration: 1 and 10 mM Incubation Time: 24 h Result: Produced 42% and 50% lethality at 1 and 10 mM, respectively.
In Vivo	Trimetrexate (180 mg/kg or 30 mg/kg; p.o. or i.p.; daily) isethionate extends the median survival of the toxoplasma infected mice and shows antitoxoplasma activity[3]. Trimetrexate (0-30 mg/kg; i.v.; once daily for 5days) isethionate shows chronic toxicity in rats[4]. Animal Model: Toxoplasma infected female BALB/c mice weighing about 20 g[3] Dosage: 180 mg/kg or 30 mg/kg Administration: 180 mg/kg per day orally in the drinking water or 30 mg/kg per day i.p. Result: Extended the median survival of the infected mice to 10 d (p.o.) or 19 d (i.p.). Animal Model: Charles River Wistar Crl(WI)BR rats weighing approximately 150 to 200 g[4] Dosage: 0, 1, 10, or 30 mg/kg Administration: Intravenous injection, once daily for 5 consecutive days followed by a 23-day recovery period Result: Showed chronic toxicity, the testicular changes persisting during the course of multiple cycles of dosing were not reversible within 21 days, but required an additional 56 days for essentially complete recovery.
References	[1]. Hopper AT, et al. Discovery of Selective Toxoplasma gondii Dihydrofolate Reductase Inhibitors for the Treatment of Toxoplasmosis. J Med Chem. 2019 Feb 14;62(3):1562-1576. [2]. Fulton, B., et al. Trimetrexate. Drugs 49, 563–576 (1995). [3]. Allegra CJ, et al. Potent in vitro and in vivo antitoxoplasma activity of the lipid-soluble antifolate trimetrexate. J Clin Invest. 1987 Feb;79(2):478-82. [4]. Dethloff LA, et al. Chronic toxicity of the anticancer agent trimetrexate in rats. Fundam Appl Toxicol. 1992 Jul;19(1):6-14. [5]. Grem JL, Voeller DM, Geoffroy F, Horak E, Johnston PG, Allegra CJ. Determinants of trimetrexate lethality in human colon cancer cells. Br J Cancer. 1994 Dec;70(6):1075-84.

Boiling Point	647ºC at 760mmHg
Molecular Formula	C₂₁H₂₉N₅O₇S
Molecular Weight	495.54900
Flash Point	345.1ºC
Exact Mass	495.17900
PSA	200.52000
LogP	3.92320

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KI7952000

CAS REGISTRY NUMBER :: 82935-04-4

LAST UPDATED :: 198806

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C19-H23-N5-O3.C2-H6-O4-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg

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

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 55550 ug/kg

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

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: JB-11 isethionate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Contact: Ms Wang
Email: enquiry@dycnchem.com

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