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Lisavanbulin

CAT: 0931-T88188-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T88188-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1263384-43-5
Target
Chk, Microtubule Associated
Related Pathways
Cell Cycle/Checkpoint, Cytoskeletal Signaling
Bioactivity
Lisavanbulin (BAL-101553) is a prodrug of Avanbulin (BAL 27862), a microtubule-targeting agent. It exhibits antitumor activity, particularly effective against tumors with high expression of end-binding protein 1.
Smiles
C(C(=O)C1=CC=C(NC([C@H](CCCCN)N)=O)C=C1)N2C(=NC=3C2=CC=CC3)C=4C(NCCC#N)=NON4
Molecular Formula
C26H29N9O3
Molecular Weight
515.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lisavanbulin

Lisavanbulin is under investigation in clinical trial NCT02895360 (Phase 1/2a Study of BAL101553 as 48-hour Infusions in Patients With Advanced Solid Tumors or Recurrent Glioblastoma).

CAS Number1263384-43-5
PubChem CID45259014
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
Molecular FormulaC26H29N9O3
Molecular Weight515.6
XLogP1.5
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count38
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
InChI
InChI=1S/C26H29N9O3/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)/t19-/m0/s1
InChIKey
NIPZLALJRAHABJ-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of Lisavanbulin
CAS: 1263384-43-5
CID: 45259014
Formula: C26H29N9O3
MW: 515.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.6
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass515.23933582
Monoisotopic Mass515.23933582
Topological Polar Surface Area191 Ų
Heavy Atom Count38
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19234028-01Lisavanbulin
GTR19238348-01Lisavanbulin dihydrochloride
HY-19916A-01Lisavanbulin (dihydrochloride)

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