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Lisavanbulin dihydrochloride

CAT: 0013-GTR19238348-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238348-02Size:50 mg
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Description
Lisavanbulin dihydrochloride is the prodrug of the microtubule-destabilizing agent Avanbulin (BAL 27862) . It demonstrates potent antitumor activity, especially in models with high end-binding protein 1 (EB1) expression, and has been investigated in both in vitro and in vivo cancer research studies.
CAS Number
1387574-54-0
Smiles
O=C (C1=CC=C (C=C1) NC ([C@@H] (N) CCCCN) =O) CN2C (C3=NON=C3NCCC#N) =NC4=CC=CC=C42.Cl.Cl
Molecular Formula
C26H31Cl2N9O3
Molecular Weight
588.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lisavanbulin dihydrochloride
CAS Number1387574-54-0
PubChem CID45259013
IUPAC Name(2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide;dihydrochloride
Molecular FormulaC26H31Cl2N9O3
Molecular Weight588.5
Topological Polar Surface Area191
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity828
SMILES
C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)[C@H](CCCCN)N)C4=NON=C4NCCC#N.Cl.Cl
InChI
InChI=1S/C26H29N9O3.2ClH/c27-13-4-3-6-19(29)26(37)31-18-11-9-17(10-12-18)22(36)16-35-21-8-2-1-7-20(21)32-25(35)23-24(34-38-33-23)30-15-5-14-28;;/h1-2,7-12,19H,3-6,13,15-16,27,29H2,(H,30,34)(H,31,37);2*1H/t19-;;/m0../s1
InChIKey
AOKATNWVGVIXOQ-TXEPZDRESA-N
Chemical Structure
2D Structure
2D structure of Lisavanbulin dihydrochloride
CAS: 1387574-54-0
CID: 45259013
Formula: C26H31Cl2N9O3
MW: 588.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass587.1926913
Monoisotopic Mass587.1926913
Topological Polar Surface Area191 Ų
Heavy Atom Count40
Formal Charge0
Complexity828
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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