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3065-79-0 | 3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE
CAS No: 3065-79-0 Catalog No: AG00BCD7 MDL No:
Product Description
Catalog Number:
AG00BCD7
Chemical Name:
3,3'-DIETHYL-9-METHYLTHIACARBOCYANINE IODIDE
CAS Number:
3065-79-0
Molecular Formula:
C22H23IN2S2
Molecular Weight:
506.4659
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
InChI Key:
SAEMBGFHGROQJZ-UHFFFAOYSA-M
SMILES:
CC[n+]1c(/C=C(/C=c\2/sc3c(n2CC)cccc3)\C)sc2c1cccc2.[I-]
EC Number:
221-317-2
NSC Number:
96932
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
506.035g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
506.464g/mol
Monoisotopic Mass:
506.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Inhibition of tau polymerization with a cyanine dye in two distinct model systems. | The Journal of biological chemistry 20090731 |
| Structure-activity relationship of cyanine tau aggregation inhibitors. | Journal of medicinal chemistry 20090611 |
| Apoptosis induced by DNA primase inhibitor 3,3'-diethyl-9-methylthia-carbocyanine iodide in human leukemia HL-60 cells. | Yao xue xue bao = Acta pharmaceutica Sinica 20061001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Inhibition of DNA primase and induction of apoptosis by 3,3'-diethyl-9-methylthia-carbocyanine iodide in hepatocellular carcinoma BEL-7402 cells. | World journal of gastroenterology 20040215 |
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