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Lexibulin

CAT: 1410-M16586-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M16586-04Size:25 mg
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Description
An orally active tubulin polymerization inhibitor with potent cytotoxic and vascular disrupting activity in vitro and in vivo.
CAS Number
917111-44-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
434.534
Molecular Formula
C24H30N6O2
Notes
Research use only, not for human use.
Receptor
Microtubule

Chemical Information

Lexibulin

1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea is a member of ureas.

CAS Number917111-44-5
PubChem CID11351021
IUPAC Name1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
Molecular FormulaC24H30N6O2
Molecular Weight434.5
XLogP3.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity565
SMILES
CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC
InChI
InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
InChIKey
MTJHLONVHHPNSI-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Lexibulin
CAS: 917111-44-5
CID: 11351021
Formula: C24H30N6O2
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP33.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass434.24302422
Monoisotopic Mass434.24302422
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T2090-01Lexibulin
T15746-01Lexibulin dihydrochloride
MBS384582-01CYT997 (Lexibulin)
C16692-50mgLexibulin (CYT997)
HY-10498ALexibulin (dihydrochloride)
HY-10498RLexibulin (Standard)

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