Entasobulin

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

MedKoo CAT#: 206128

CAS#: 501921-61-5

Description: Entasobulin is a β-tubulin polymerization inhibitor with potential anticancer activity. Entasobulin is a indolizine-glyoxylamide based small molecule that demonstrate substantial in vitro anti-proliferative activities against cancer cell lines, including multidrug resistance (MDR) phenotypes. The in vitro cytotoxic effects have been demonstrated across a wide array of tumor types of various origins (e.g., breast, colon, uterine).


Chemical Structure

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Entasobulin
CAS# 501921-61-5

Theoretical Analysis

MedKoo Cat#: 206128
Name: Entasobulin
CAS#: 501921-61-5
Chemical Formula: C26H18ClN3O2
Exact Mass: 439.10875
Molecular Weight: 439.89
Elemental Analysis: C, 70.99; H, 4.12; Cl, 8.06; N, 9.55; O, 7.27

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Synonym: Entasobulin; UNIITB77GU6BFO. Pubchem SID 175427608.

IUPAC/Chemical Name: 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(quinolin-6-yl)acetamide.

InChi Key: LJIUXAHLYIPHOK-UHFFFAOYSA-N

InChi Code: InChI=1S/C26H18ClN3O2/c27-19-9-7-17(8-10-19)15-30-16-22(21-5-1-2-6-24(21)30)25(31)26(32)29-20-11-12-23-18(14-20)4-3-13-28-23/h1-14,16H,15H2,(H,29,32)

SMILES Code: O=C(NC1=CC=C2N=CC=CC2=C1)C(C3=CN(CC4=CC=C(Cl)C=C4)C5=C3C=CC=C5)=O

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, 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

Preparing Stock Solutions

The following data is based on the product molecular weight 439.89 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

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1: James DA, Koya K, Li H, Liang G, Xia Z, Ying W, Wu Y, Sun L. Indole- and indolizine-glyoxylamides displaying cytotoxicity against multidrug resistant cancer cell lines. Bioorg Med Chem Lett. 2008 Mar 15;18(6):1784-7. doi: 10.1016/j.bmcl.2008.02.029. Epub 2008 Feb 16. PubMed PMID: 18308566.

Entasobulin

10.0mg / Not available


Additional Information