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Batabulin - 99%, high purity , CAS No.195533-53-0

    Grade & Purity:
  • ≥99%
In stock
Item Number
B648532
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B648532-1mg
1mg
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Production requires sourcing of materials. We appreciate your patience and understanding.
$85.90
B648532-5mg
5mg
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$180.90
B648532-10mg
10mg
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$270.90
B648532-50mg
50mg
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$680.90

Basic Description

Synonyms Batabulin | NSC227202 | starbld0000893 | SCHEMBL18845 | Q27289662 | T4NP8G3K6Q | T 138067 | Batabulin [USAN] | Z1478321775 | T138067 | T-138067 | AKOS040732531 | 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide | MS-25971 | Batabulin [
Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms Batabulin (T138067) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes , thereby disrupting microtubule polymerization. Batabulin affects cell morphology and leads to cell-cycle arrest ultimately induces ap
Storage Temp Store at -20°C
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Product Description

Batabulin (T138067) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes , thereby disrupting microtubule polymerization. Batabulin 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

Taxonomic Classification

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  Methoxybenzenes  Phenoxy compounds  Anisoles  Fluorobenzenes  Alkyl aryl ethers  Aryl fluorides  Organosulfonamides  Aminosulfonyl compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Organopnictogen compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Benzenesulfonamide - Sulfanilide - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Organosulfonic acid amide - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organic oxide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - 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

Associated Targets(Human)

Homo sapiens (32628 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DLD-1 (17511 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ZR-75-1 (953 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
T47D (39041 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HBL-100 (746 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HUVEC (11049 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
INCHI InChI=1S/C13H7F6NO3S/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/h2-4,20H,1H3
InChIKey ROZCIVXTLACYNY-UHFFFAOYSA-N
Smiles COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F
Isomeric SMILES COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F
Alternate CAS 195533-53-0
PubChem CID 216324
MeSH Entry Terms 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide;2-fluoro-1-methoxy-4-pentafluorophenylsulfonamidobenzene;batabulin;T 138067;T-138067;T138067
Molecular Weight 371.26

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 100 mg/mL (269.35 mM; Need ultrasonic)
Molecular Weight 371.260 g/mol
XLogP3 3.000
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 4
Exact Mass 371.005 Da
Monoisotopic Mass 371.005 Da
Topological Polar Surface Area 63.800 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 516.000
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 1

Solution Calculators

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