MedKoo Cat#: 561256 | Name: Sepin-1
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Description:

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

Sepin-1 is a noncompetitive inhibitor of separase. Sepin-1 inhibits separase enzymatic activity with a half maximal inhibitory concentration (IC50) of 14.8 µM. Sepin-1 can inhibit the growth of human cancer cell lines and breast cancer xenograft tumors in mice by inhibiting cell proliferation and inducing apoptosis.

Chemical Structure

Sepin-1
CAS#163126-81-6

Theoretical Analysis

MedKoo Cat#: 561256

Name: Sepin-1

CAS#: 163126-81-6

Chemical Formula: C9H9N3O4

Exact Mass: 223.0593

Molecular Weight: 223.19

Elemental Analysis: C, 48.43; H, 4.06; N, 18.83; O, 28.67

Price and Availability

Size Price Availability Quantity
25mg USD 350.00 2 Weeks
50mg USD 550.00 2 weeks
100mg USD 950.00 2 weeks
1g USD 4,650.00 2 weeks
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Related CAS #
Synonym
Sepin-1; Sepin 1; Sepin1
IUPAC/Chemical Name
2,2-Dimethyl-5-nitro-2H-benzimidazole-1,3-dioxide
InChi Key
YLVSVJDCTDBERH-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H9N3O4/c1-9(2)10(13)7-4-3-6(12(15)16)5-8(7)11(9)14/h3-5H,1-2H3
SMILES Code
[O-][N+]1=C2C(C=C([N+]([O-])=O)C=C2)=[N+]([O-])C1(C)C
Appearance
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
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
Certificate of Analysis
Safety Data Sheet (SDS)
Biological target:
Sepin-1 inhibits separase enzymatic activity with a half maximal inhibitory concentration (IC50) of 14.8 µM. Sepin-1 can inhibit the growth of human cancer cell lines and breast cancer xenograft tumors in mice by inhibiting cell proliferation and inducing apoptosis.
In vitro activity:
Sepin-1 inhibits Forkhead box protein M1 (FoxM1) expression and hinders growth of breast cancer cells, cell migration, and wound healing. After Sepin-1 treatment, caspases 3 and 7 were not activated and ADP-ribose polymerase was not cleaved. The expression of FoxM1 and its target genes in the cell cycle were reduced in a Sepin-1-dependent manner. Reference: J Cancer Sci Ther. 2018;10(3):517. https://pubmed.ncbi.nlm.nih.gov/29780443/
In vivo activity:
This study demonstrated that sepin-1 could inhibit the growth of breast cancer xenograft tumors in mice by inhibiting cell proliferation and inducing apoptosis. The sensitivity to sepin-1 was mostly positively correlated to the level of separase in tumors. Reference: J Biomol Screen. 2014 Jul;19(6):878-89. https://pubmed.ncbi.nlm.nih.gov/24525869/
Solvent mg/mL mM comments
Solubility
DMSO 100.0 448.05
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 223.19 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. Li F, Zhang N, Gorantla S, Gilbertson SR, Pati D. The Metabolism of Separase Inhibitor Sepin-1 in Human, Mouse, and Rat Liver Microsomes. Front Pharmacol. 2018 May 7;9:313. doi: 10.3389/fphar.2018.00313. PMID: 29867452; PMCID: PMC5949348. 2. Zhang N, Pati D. Separase Inhibitor Sepin-1 Inhibits Foxm1 Expression and Breast Cancer Cell Growth. J Cancer Sci Ther. 2018;10(3):517. doi: 10.4172/1948-5956.1000517. Epub 2018 Mar 22. PMID: 29780443; PMCID: PMC5959057. 3. Zhang N, Sarkar AK, Li F, Demerzhan SA, Gilbertson SR, Pati D. Stability and pharmacokinetics of separase inhibitor-Sepin-1 in Sprague-Dawley rats. Biochem Pharmacol. 2020 Apr;174:113808. doi: 10.1016/j.bcp.2020.113808. Epub 2020 Jan 10. PMID: 31930961. 4. Zhang N, Scorsone K, Ge G, Kaffes CC, Dobrolecki LE, Mukherjee M, Lewis MT, Berg S, Stephan CC, Pati D. Identification and Characterization of Separase Inhibitors (Sepins) for Cancer Therapy. J Biomol Screen. 2014 Jul;19(6):878-89. doi: 10.1177/1087057114520972. Epub 2014 Feb 13. PMID: 24525869.
In vitro protocol:
1. Li F, Zhang N, Gorantla S, Gilbertson SR, Pati D. The Metabolism of Separase Inhibitor Sepin-1 in Human, Mouse, and Rat Liver Microsomes. Front Pharmacol. 2018 May 7;9:313. doi: 10.3389/fphar.2018.00313. PMID: 29867452; PMCID: PMC5949348. 2. Zhang N, Pati D. Separase Inhibitor Sepin-1 Inhibits Foxm1 Expression and Breast Cancer Cell Growth. J Cancer Sci Ther. 2018;10(3):517. doi: 10.4172/1948-5956.1000517. Epub 2018 Mar 22. PMID: 29780443; PMCID: PMC5959057.
In vivo protocol:
1. Zhang N, Sarkar AK, Li F, Demerzhan SA, Gilbertson SR, Pati D. Stability and pharmacokinetics of separase inhibitor-Sepin-1 in Sprague-Dawley rats. Biochem Pharmacol. 2020 Apr;174:113808. doi: 10.1016/j.bcp.2020.113808. Epub 2020 Jan 10. PMID: 31930961. 2. Zhang N, Scorsone K, Ge G, Kaffes CC, Dobrolecki LE, Mukherjee M, Lewis MT, Berg S, Stephan CC, Pati D. Identification and Characterization of Separase Inhibitors (Sepins) for Cancer Therapy. J Biomol Screen. 2014 Jul;19(6):878-89. doi: 10.1177/1087057114520972. Epub 2014 Feb 13. PMID: 24525869.
1: Do HT, Zhang N, Pati D, Gilbertson SR. Synthesis and activity of benzimidazole-1,3-dioxide inhibitors of separase. Bioorg Med Chem Lett. 2016 Sep 15;26(18):4446-50. doi: 10.1016/j.bmcl.2016.07.080. Epub 2016 Aug 1. PubMed PMID: 27530289. 2: Zhang N, Scorsone K, Ge G, Kaffes CC, Dobrolecki LE, Mukherjee M, Lewis MT, Berg S, Stephan CC, Pati D. Identification and Characterization of Separase Inhibitors (Sepins) for Cancer Therapy. J Biomol Screen. 2014 Jul;19(6):878-89. doi: 10.1177/1087057114520972. Epub 2014 Feb 13. PubMed PMID: 24525869.