1,4-PBIT (dihydrobromide) | CAS#157254-60-9 | iNOS inhibitor

1,4-PBIT (dihydrobromide)
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406515

CAS#: 157254-60-9

Description: 1,4-PBIT (dihydrobromide) is a potent inhibitor of iNOS and nNOS with Ki values of 7.4 and 16 nM, respectively. Its inhibition in whole cells is greatly diminished, presumably to poor membrane permeability.

Chemical Structure

1,4-PBIT (dihydrobromide)

CAS# 157254-60-9

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 406515
Name: 1,4-PBIT (dihydrobromide)
CAS#: 157254-60-9
Chemical Formula: C12H18N4S2
Exact Mass: 282.10
Molecular Weight: 282.424
Elemental Analysis: C, 51.03; H, 6.42; N, 19.84; S, 22.70

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 160
50mg	USD 300
100mg	USD 550
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: PBIT

IUPAC/Chemical Name: S,S'-1,4-phenylenebis(1,2-ethanediyl)bis-isothiourea

InChi Key: FZWGDUUJDZCYJR-UHFFFAOYSA-N

InChi Code: InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)

SMILES Code: N=C(N)SCCC1=CC=C(CCSC(N)=N)C=C1

Appearance: white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

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Product Data:

Product Data

Instruction:

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Biological target:	1,4-PBIT (dihydrobromide) is a potent inhibitor of iNOS and nNOS with Ki values of 7.4 and 16 nM.
In vitro activity:	More importantly, this study identified several novel inhibitors, including 2-4(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one (PBIT), which inhibits JARID1B with an IC50 of about 3 μm in vitro. Consistent with this, PBIT treatment inhibited removal of H3K4me3 by JARID1B in cells. Furthermore, this compound inhibited proliferation of cells expressing higher levels of JARID1B. Reference: J Biol Chem. 2013 Mar 29;288(13):9408-17. https://pubmed.ncbi.nlm.nih.gov/23408432/
In vivo activity:	PBIT reduced the incidence of esophageal cancer from 96% in NMBA-treated rats to 83% and 77% (P < 0.05) in rats treated with 50 and 100 ppm PBIT, respectively. Tumor multiplicity was reduced from 3.64 +/- 0.42 tumors per esophagus in NMBA-treated rats to 1.79 +/- 0.25 (P < 0.001) and 1.50 +/- 0.24 (P < 0.0001) in rats treated with 50 and 100 ppm PBIT, respectively. PBIT reduced the production of NO in NMBA-induced preneoplastic and papillomatous esophageal lesions when compared with comparable lesions in rats treated with NMBA only. Reference: Cancer Res. 2004 May 15;64(10):3714-7. https://pubmed.ncbi.nlm.nih.gov/15150132/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	20.0	70.82
	DMSO	25.0	88.52
	PBS (pH 7.2)	5.0	17.70

Preparing Stock Solutions

The following data is based on the product molecular weight 282.42 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. Wang Q, He H, Chen D, Wang C, Xu Y, Song W. Hepatic stroma-educated regulatory DCs suppress CD8+ T cell proliferation in mice. Oncotarget. 2017 Jun 13;8(55):93414-93425. doi: 10.18632/oncotarget.18459. PMID: 29212160; PMCID: PMC5706806. 2. Sayegh J, Cao J, Zou MR, Morales A, Blair LP, Norcia M, Hoyer D, Tackett AJ, Merkel JS, Yan Q. Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. J Biol Chem. 2013 Mar 29;288(13):9408-17. doi: 10.1074/jbc.M112.419861. Epub 2013 Feb 13. PMID: 23408432; PMCID: PMC3611010. 3. Chen T, Nines RG, Peschke SM, Kresty LA, Stoner GD. Chemopreventive effects of a selective nitric oxide synthase inhibitor on carcinogen-induced rat esophageal tumorigenesis. Cancer Res. 2004 May 15;64(10):3714-7. doi: 10.1158/0008-5472.CAN-04-0302. PMID: 15150132.
In vitro protocol:	1. Wang Q, He H, Chen D, Wang C, Xu Y, Song W. Hepatic stroma-educated regulatory DCs suppress CD8+ T cell proliferation in mice. Oncotarget. 2017 Jun 13;8(55):93414-93425. doi: 10.18632/oncotarget.18459. PMID: 29212160; PMCID: PMC5706806. 2. Sayegh J, Cao J, Zou MR, Morales A, Blair LP, Norcia M, Hoyer D, Tackett AJ, Merkel JS, Yan Q. Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. J Biol Chem. 2013 Mar 29;288(13):9408-17. doi: 10.1074/jbc.M112.419861. Epub 2013 Feb 13. PMID: 23408432; PMCID: PMC3611010.
In vivo protocol:	1. Chen T, Nines RG, Peschke SM, Kresty LA, Stoner GD. Chemopreventive effects of a selective nitric oxide synthase inhibitor on carcinogen-induced rat esophageal tumorigenesis. Cancer Res. 2004 May 15;64(10):3714-7. doi: 10.1158/0008-5472.CAN-04-0302. PMID: 15150132.

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1,4-PBIT (dihydrobromide) featured