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HAC-Y6

CAT: 0804-HY-117465Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117465Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HAC-Y6 has anticancer activity via cell cycle arrest. HAC-Y6 induces apoptosis in COLO 205 cells with an IC50 of 0.52 µM[1].
CAS Number
1331959-78-4
UNSPSC
12352005
Target
Apoptosis
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/hac-y6.html
Smiles
O=C(C)C1=CC=C2C(C3=C(N2CC4=CC(OC)=C(C(OC)=C4)OC)N=CC=C3)=C1
Molecular Formula
C23H22N2O4
Molecular Weight
390.43
References & Citations
[1]Yi-Chien Lin, et al. The novel synthetic compound 6-acetyl-9- (3,4,5-trimetho-xybenzyl) -9H-pyrido[2,3-b]indole induces mitotic arrest and apoptosis in human COLO 205 cells. Int J Oncol. 2013 Nov;43 (5) :1596-606.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-Acetyl-9-(3,4,5-trimethoxybenzyl)-9h-pyrido [2,3-b]indole
CAS Number1331959-78-4
PubChem CID46941176
IUPAC Name1-[9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-b]indol-6-yl]ethanone
Molecular FormulaC23H22N2O4
Molecular Weight390.4
XLogP3.8
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity559
SMILES
CC(=O)C1=CC2=C(C=C1)N(C3=C2C=CC=N3)CC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C23H22N2O4/c1-14(26)16-7-8-19-18(12-16)17-6-5-9-24-23(17)25(19)13-15-10-20(27-2)22(29-4)21(11-15)28-3/h5-12H,13H2,1-4H3
InChIKey
NYMMDHGEECPYAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Acetyl-9-(3,4,5-trimethoxybenzyl)-9h-pyrido [2,3-b]indole
CAS: 1331959-78-4
CID: 46941176
Formula: C23H22N2O4
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass390.15795719
Monoisotopic Mass390.15795719
Topological Polar Surface Area62.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity559
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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