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Tubulozole

CAT: 0013-GTR19199101-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199101-01Size:25 mg
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Description
Tubulozole is a small molecule microtubule-targeting agent that disrupts mitotic spindle dynamics, leading to cell cycle arrest and apoptosis. It is used in cancer research for studying antimitotic mechanisms in both cellular and preclinical models.
CAS Number
84697-22-3
Field of Research
Signal Transduction
Smiles
C ([C@]1 (O[C@@H] (CSC2=CC=C (NC (OCC) =O) C=C2) CO1) C3=C (Cl) C=C (Cl) C=C3) N4C=CN=C4
Molecular Formula
C23H23Cl2N3O4S
Molecular Weight
508.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tubulozole

(S,S)-tubulozole is an ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have S-configuration. It is an enantiomer of a (R,R)-tubulozole.

CAS Number84697-22-3
PubChem CID6917819
IUPAC Nameethyl N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Molecular FormulaC23H23Cl2N3O4S
Molecular Weight508.4
XLogP5.4
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity643
SMILES
CCOC(=O)NC1=CC=C(C=C1)SC[C@@H]2CO[C@@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H23Cl2N3O4S/c1-2-30-22(29)27-17-4-6-19(7-5-17)33-13-18-12-31-23(32-18,14-28-10-9-26-15-28)20-8-3-16(24)11-21(20)25/h3-11,15,18H,2,12-14H2,1H3,(H,27,29)/t18-,23+/m0/s1
InChIKey
OGPIBXIQNMQSPY-FDDCHVKYSA-N
Chemical Structure
2D Structure
2D structure of Tubulozole
CAS: 84697-22-3
CID: 6917819
Formula: C23H23Cl2N3O4S
MW: 508.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass507.0786328
Monoisotopic Mass507.0786328
Topological Polar Surface Area99.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
468361-01Tubulozole
sc-216030Tubulozole-T hydrochloride

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