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Cantrixil

CAT: 0607-BA3170-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3170-10Size:10 mg
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CAS Number
2135511-22-5
Form
A solid
Molecular Formula
C24H24O6
Molecular Weight
408.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Cantrixil

Cantrixil is a cyclodextrin-encapsulated, third generation super-benzopyran (SBP) compound with potential antineoplastic activity. Upon intraperitoneal (IP) administration, cantrixil enhances the activation and expression of c-Jun, downregulates phosphorylated extracellular signal-regulated kinase (p-ERK) and induces activation of caspase-3, -7 and -9, thereby inducing tumor cell apoptosis. c-Jun, an activator protein-1 (AP-1) transcription factor component, is involved in a wide range of cellular processes including cell cycle progression, differentiation, cell transformation and apoptosis.

CAS Number2135511-22-5
PubChem CID129851403
IUPAC Name(3R,4S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC24H24O6
Molecular Weight408.4
XLogP4.4
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity536
SMILES
CC1=C(C=CC2=C1OC[C@H]([C@H]2C3=CC=C(C=C3)O)C4=CC(=C(C(=C4)OC)O)OC)O
InChI
InChI=1S/C24H24O6/c1-13-19(26)9-8-17-22(14-4-6-16(25)7-5-14)18(12-30-24(13)17)15-10-20(28-2)23(27)21(11-15)29-3/h4-11,18,22,25-27H,12H2,1-3H3/t18-,22-/m0/s1
InChIKey
JFVVPUGGRUGRBJ-AVRDEDQJSA-N
Chemical Structure
2D Structure
2D structure of Cantrixil
CAS: 2135511-22-5
CID: 129851403
Formula: C24H24O6
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass408.15728848
Monoisotopic Mass408.15728848
Topological Polar Surface Area88.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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