≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Batabulin sodium (T138067 sodium) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes , thereby disrupting microtubule polymerization. Batabulin sodium affects cell morphology and leads to cell-cycle arrest ultimately induces apoptotic cell death
In Vitro
Batabulin (T138067; 30-300 nM; 24 hours; MCF7 cells) treatment shows approximately 25-30% tetraploid (4n) DNA content in cells, indicating an arrest at the G2/M cell-cycle boundary. Batabulin (T138067; 30-300 nM; 24-48 hours; MCF7 cells) treatment shows 25-30% apoptosis. After a 48-hr exposure to 100 nM Batabulin, approximately 50-80% of the cell population is undergoing apoptosis. Batabulin (T138067) binds covalently and selectively to a subset of the β-tubulin isotypes, thereby disrupting microtubule polymerization. Covalent modification occurs at a conserved Cys-239 shared by the β1, β2, and β4 tubulin isotypes. Cells exposed to Batabulin become altered in shape, indicating a collapse of the cytoskeleton, and show an increase in chromosomal ploidy. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cycle AnalysisCell Line: MCF7 cells Concentration: 30 nM, 100 nM and 300 nM Incubation Time: 24 hours Result: Showed an arrest at the G2/M cell-cycle boundary. Apoptosis AnalysisCell Line: MCF7 cells Concentration: 30 nM, 100 nM and 300 nM Incubation Time: 24 hours or 48 hours Result: 25-30% of cells showed the reduced DNA content characteristic of apoptotic cells.
In Vivo
Batabulin (T138067; 40 mg/kg; intraperitoneal injection; once per week; on days 5, 12, and 19; male athymic nude mice) treatment impairs the growth of the drug-sensitive CCRF-CEM tumors . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male athymic nude mice ( nu/nu ) (6-8 week-old, 20-25 g) injected with\nCCRF-CEM cells Dosage: 40 mg/kg Administration: Intraperitoneal injection; once per week; on days 5, 12, and 19 Result: Impaired the growth of the drug-sensitive CCRF-CEM tumors.
Form:Solid
IC50& Target:β-tubulin
| Canonical Smiles | COC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F.[Na+] |
|---|---|
| IUPAC Name | sodium;(3-fluoro-4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide |
| InChIKey | UWPXRVDIKGZQQW-UHFFFAOYSA-N |
| INCHI | 1S/C13H6F6NO3S.Na/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19;/h2-4H,1H3;/q-1;+1 |
| Isomeric SMILES | COC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F.[Na+] |
| Alternate CAS | 195533-98-3 |
| PubChem CID | 23669770 |
| Molecular Weight | 393.24 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Sulfanilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfanilides |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Sulfonyls Organosulfonic acids and derivatives Organic metal halides Organonitrogen compounds Organic oxides Organic sodium salts Organic zwitterions Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Organic metal halide - Ether - Organic salt - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic sodium salt - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. |
| External Descriptors | Not available |
| Solubility | DMSO : 125 mg/mL (317.87 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 393.240 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 392.987 Da |
| Monoisotopic Mass | 392.987 Da |
| Topological Polar Surface Area | 52.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
