Products for Research Use Only
RegisterLogin

Denibulin

CAT: 0931-T210327-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T210327-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
284019-34-7
Target
Microtubule Associated
Related Pathways
Cytoskeletal Signaling
Bioactivity
Denibulin is a vascular disrupting agent that reversibly inhibits microtubule assembly, disrupting the cytoskeleton of tumor vascular endothelial cells. It demonstrates tolerance and potential anti-vascular effects, making it useful for cancer research.
Smiles
N(C(OC)=O)C=1NC=2C(N1)=CC=C(SC3=CC=C(NC([C@H](C)N)=O)C=C3)C2
Molecular Formula
C18H19N5O3S
Molecular Weight
385.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Denibulin

Denibulin is a novel small molecule Vascular Disrupting Agent under development by MediciNova for treatment of solid tumor cancers.

CAS Number284019-34-7
PubChem CID11661758
IUPAC Namemethyl N-[6-[4-[[(2S)-2-aminopropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC18H19N5O3S
Molecular Weight385.4
XLogP2.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity529
SMILES
C[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N
InChI
InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1
InChIKey
GAOHLWCIAJNSEE-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of Denibulin
CAS: 284019-34-7
CID: 11661758
Formula: C18H19N5O3S
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass385.12086066
Monoisotopic Mass385.12086066
Topological Polar Surface Area147 Ų
Heavy Atom Count27
Formal Charge0
Complexity529
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
TRC-D371770-100MGDenibulin
HY-14919ADenibulin (hydrochloride)
MBS130127-01Denibulin Hydrochloride
GTR19211247-01Denibulin HCl

Popular Products