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MedKoo Cat#: 406515 | Name: 1,4-PBIT (dihydrobromide)
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

Theoretical Analysis

MedKoo Cat#: 406515

Name: 1,4-PBIT (dihydrobromide)

CAS#: 157254-60-9

Chemical Formula: C12H20Br2N4S2

Exact Mass: 441.9500

Molecular Weight: 444.25

Elemental Analysis: C, 32.44; H, 4.54; Br, 35.97; N, 12.61; S, 14.43

Price and Availability

Size Price Availability Quantity
50mg USD 350.00 2 weeks
100mg USD 585.00 2 weeks
250mg USD 950.00 2 weeks
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Related CAS #
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Synonym
PBIT
IUPAC/Chemical Name
1,4-phenylenebis(ethane-2,1-diyl) dicarbamimidothioate dihydrobromide
InChi Key
YRRYHMLYGVNPBW-UHFFFAOYSA-N
InChi Code
1S/C12H18N4S2.2BrH/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);2*1H
SMILES Code
[H]Br.[H]Br.NC(SCCC1=CC=C(CCSC(N)=N)C=C1)=N
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
More Info
        
Product Data
Product Data
Instruction
View handling instruction
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/
Solvent mg/mL mM
Solubility
DMF 20.0 70.82
DMSO 25.0 88.52
PBS (pH 7.2) 5.0 17.70
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 444.25 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.

Recalculate based on batch purity %
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.