UNBS5162
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MedKoo CAT#: 203071

CAS#: 956590-23-1

Description: UNBS5162 is a novel naphthalimide that binds to DNA by intercalation and suppresses CXCL chemokine elaboration. In vivo UNBS5162 after repeat administration significantly increased survival in orthotopic human prostate cancer models. Results obtained by the National Cancer Institute (NCI) using UNBS3157 and UNBS5162 against the NCI 60 cell line panel did not show a correlation with any other compound present in the NCI database, including amonafide, thereby suggesting a unique mechanism of action for these two novel naphthalimides.


Chemical Structure

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UNBS5162
CAS# 956590-23-1

Theoretical Analysis

MedKoo Cat#: 203071
Name: UNBS5162
CAS#: 956590-23-1
Chemical Formula: C17H18N4O3
Exact Mass: 326.13789
Molecular Weight: 326.34982
Elemental Analysis: C, 62.57; H, 5.56; N, 17.17; O, 14.71

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 Ready to ship
25.0mg USD 150.0 Ready to ship
50.0mg USD 250.0 Ready to ship
100.0mg USD 450.0 Ready to ship
200.0mg USD 750.0 Ready to ship
500.0mg USD 1650.0 Ready to ship
1.0g USD 2850.0 Ready to ship
2.0g USD 4650.0 Ready to ship
5.0g USD 7450.0 2 weeks
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Synonym: UNBS-5162, UNBS 5162, UNBS5162

IUPAC/Chemical Name: 1-(2-(2-(dimethylamino)ethyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-5-yl)urea

InChi Key: WCKZRLOUKYFJDY-UHFFFAOYSA-N

InChi Code: InChI=1S/C17H18N4O3/c1-20(2)6-7-21-15(22)12-5-3-4-10-8-11(19-17(18)24)9-13(14(10)12)16(21)23/h3-5,8-9H,6-7H2,1-2H3,(H3,18,19,24)

SMILES Code: O=C(N)NC1=CC2=CC=CC(C(N(CCN(C)C)C3=O)=O)=C2C3=C1

Appearance: Yellow 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

Biological target: UNBS5162 is a pan-antagonist of CXCL chemokine expression.
In vitro activity: The effect of UNBS5162 on cell proliferation, mobility and apoptosis in HCT116 cells was investigated, and the underlying mechanism was explored. A CCK8 assay revealed that UNBS5162 can block the proliferation of colon cancer cells. Cell migration and invasion ability of HCT116 cells were inhibited by UNBS5162. In addition, Annexin V-FITC/PI assay and Western blot analysis were performed to detect whether UNBS5162 could induce cell apoptosis. The results indicated that UNBS5162 increases the number of apoptotic cells remarkably. Furthermore, Western blot analysis demonstrated that UNBS5162 down-regulates the expression level of Bcl2, and up-regulates that of Bax as well as the level of activated Caspase-3. Moreover, UNBS5162 substantially inhibited the phosphorylation of Akt and its downstream effector mTOR, and reduced the expression of p-70. Taken together, these results suggest that UNBS5162 should be considered as a potent therapeutic anticancer agent that targets the PI3K/AKT signaling pathway. Reference: Med Sci (Paris). 2018 Oct;34 Focus issue F1:99-104. https://www.medecinesciences.org/en/articles/medsci/full_html/2018/09/medsci180278s/medsci180278s.html
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 3.0 9.19
DMF:PBS (pH 7.2) (1:1) 0.5 1.53
DMSO 19.25 58.99

Preparing Stock Solutions

The following data is based on the product molecular weight 326.34982 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. Zhang F, Lv HZ, Liu JM, Ye XY, Wang CC. UNBS5162 inhibits colon cancer growth via suppression of PI3K/Akt signaling pathway. Med Sci (Paris). 2018 Oct;34 Focus issue F1:99-104. doi: 10.1051/medsci/201834f117. Epub 2018 Nov 7. PMID: 30403183. 2. Liu C, Xing J, Gao Y. UNBS5162 inhibits the proliferation of human A549 non-small-cell lung cancer cells by promoting apoptosis. Thorac Cancer. 2018 Jan;9(1):105-111. doi: 10.1111/1759-7714.12546. Epub 2017 Nov 11. PMID: 29130641; PMCID: PMC5754305.
In vitro protocol: 1. Zhang F, Lv HZ, Liu JM, Ye XY, Wang CC. UNBS5162 inhibits colon cancer growth via suppression of PI3K/Akt signaling pathway. Med Sci (Paris). 2018 Oct;34 Focus issue F1:99-104. doi: 10.1051/medsci/201834f117. Epub 2018 Nov 7. PMID: 30403183. 2. Liu C, Xing J, Gao Y. UNBS5162 inhibits the proliferation of human A549 non-small-cell lung cancer cells by promoting apoptosis. Thorac Cancer. 2018 Jan;9(1):105-111. doi: 10.1111/1759-7714.12546. Epub 2017 Nov 11. PMID: 29130641; PMCID: PMC5754305.
In vivo protocol: TBD

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1: Mahadevan D, Northfelt DW, Chalasani P, Rensvold D, Kurtin S, Von Hoff DD, Borad MJ, Tibes R. Phase I trial of UNBS5162, a novel naphthalimide in patients with advanced solid tumors or lymphoma. Int J Clin Oncol. 2013 Oct;18(5):934-41. doi: 10.1007/s10147-012-0475-8. Epub 2012 Oct 11. PubMed PMID: 23053399.



Additional Information

The MTD or dose-limiting toxicity for UNBS5162 was not reached due to the magnitude of QTc prolongation at the highest dose of 234 mg/m(2)/week that led to study termination. ( Int J Clin Oncol. 2013 Oct;18(5):934-41.)