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Apoptosis inducer 8

CAT: 0931-T63485-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63485-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2470024-51-0
Target
Others, Galectin, Apoptosis
Related Pathways
Others, Apoptosis, Immunology/Inflammation
Bioactivity
Apoptosis inducer 8 is a galectin-1 (gal-1) -mediated apoptosis inducer and a PET imaging agent that significantly reduces gal-1 protein levels and can be used in major lung cancer studies worldwide.
Smiles
C(N1C(=NC=2C1=CC=C(Cl)C2)C3=CC=C(OCC4=CN(N=N4)C5=CC(O)=CC=C5)C=C3)C6=CC=CC=C6
Molecular Formula
C29H22ClN5O2
Molecular Weight
507.97
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Apoptosis inducer 8
CAS Number2470024-51-0
PubChem CID164517104
IUPAC Name3-[4-[[4-(1-benzyl-5-chlorobenzimidazol-2-yl)phenoxy]methyl]triazol-1-yl]phenol
Molecular FormulaC29H22ClN5O2
Molecular Weight508.0
XLogP5.9
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity718
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)OCC5=CN(N=N5)C6=CC(=CC=C6)O
InChI
InChI=1S/C29H22ClN5O2/c30-22-11-14-28-27(15-22)31-29(34(28)17-20-5-2-1-3-6-20)21-9-12-26(13-10-21)37-19-23-18-35(33-32-23)24-7-4-8-25(36)16-24/h1-16,18,36H,17,19H2
InChIKey
ODJNKXTWIBLBDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apoptosis inducer 8
CAS: 2470024-51-0
CID: 164517104
Formula: C29H22ClN5O2
MW: 508.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.0
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass507.1462027
Monoisotopic Mass507.1462027
Topological Polar Surface Area78 Ų
Heavy Atom Count37
Formal Charge0
Complexity718
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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