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BPTQ

CAT: 0931-T23817-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23817-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1802665-43-5
Target
Others, Caspase, Bcl-2 Family, Chk, Apoptosis, VEGFR
Related Pathways
Proteases/Proteasome, Apoptosis, Angiogenesis, Cell Cycle/Checkpoint, Others, Tyrosine Kinase/Adaptors
Bioactivity
BPTQ is a typical intercalator of DNA that acts by inducing a dose-dependent inhibitory effect on the proliferation of cancer cells by arresting cells at the S and G2/M phase.
Smiles
N(CCCC)C1=C2C(C=3C(S2)=NC=4C(C3)=CC=CC4)=NC=N1
Molecular Formula
C17H16N4S
Molecular Weight
308.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Butylaminopyrimido[4',5':4,5]thieno(2,3-b)quinoline
CAS Number1802665-43-5
PubChem CID129851326
IUPAC NameN-butyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-15-amine
Molecular FormulaC17H16N4S
Molecular Weight308.4
XLogP4.6
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity380
SMILES
CCCCNC1=NC=NC2=C1SC3=NC4=CC=CC=C4C=C23
InChI
InChI=1S/C17H16N4S/c1-2-3-8-18-16-15-14(19-10-20-16)12-9-11-6-4-5-7-13(11)21-17(12)22-15/h4-7,9-10H,2-3,8H2,1H3,(H,18,19,20)
InChIKey
HNUWBMCYWQHNIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Butylaminopyrimido[4',5':4,5]thieno(2,3-b)quinoline
CAS: 1802665-43-5
CID: 129851326
Formula: C17H16N4S
MW: 308.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass308.10956770
Monoisotopic Mass308.10956770
Topological Polar Surface Area78.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity380
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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