Introduction：Basic information about CAS 3065-79-0|3,3'-Diethyl-9-methylthiacarbocyanine iodide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,3'-Diethyl-9-methylthiacarbocyanine iodide |
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| CAS Number | 3065-79-0 | Molecular Weight | 506.46600 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C22H23IN2S2 | Melting Point | 290ºC(dec.)(lit.) |
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| MSDS | / | Flash Point | / |
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Names
| Name | (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole,iodide |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | 3,3'-Diethyl-9-methylthiacarbocyanine iodide is a cyanine dye, also a tau aggregation inhibitor, with an IC50 value of 0.28 μM for tau. 3,3'-Diethyl-9-methylthiacarbocyanine iodide can cause misfunction of the microtubule cytoskeleton. 3,3'-Diethyl-9-methylthiacarbocyanine iodide can be used for researching Alzheimer’s disease[1]. |
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| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>Microtubule/TubulinSignaling Pathways >>Cytoskeleton >>Microtubule/TubulinResearch Areas >>Neurological Disease |
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| Target | IC50: 0.28 μM (tau)[1] |
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| References | [1]. Chang E, et al. Structure-activity relationship of cyanine tau aggregation inhibitors. J Med Chem. 2009 Jun 11;52(11):3539-47. |
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Chemical & Physical Properties
| Melting Point | 290ºC(dec.)(lit.) |
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| Molecular Formula | C22H23IN2S2 |
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| Molecular Weight | 506.46600 |
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| Exact Mass | 506.03500 |
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| PSA | 65.29000 |
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| LogP | 2.41390 |
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| InChIKey | SAEMBGFHGROQJZ-UHFFFAOYSA-M |
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| SMILES | CCN1C(=CC(C)=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL7047000
- CHEMICAL NAME :
- Benzothiazolium, 3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-meth yl-1-propenyl)-, iodide
- CAS REGISTRY NUMBER :
- 3065-79-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C22-H23-N2-S2.I
- MOLECULAR WEIGHT :
- 506.49
- WISWESSER LINE NOTATION :
- T56 BNYSJ B2 CU2U1- CT56 BK DSJ B2 G1 &I
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3600 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03432
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Safety Information
| Hazard Codes | Xn: Harmful; |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S36 |
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| WGK Germany | 3 |
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| RTECS | DL7047000 |
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Synonyms
| 3,3′-Diethyl-9-methylthiacarbocyanine iodide |
| Benzothiazolium,3-ethyl-2-(3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-,iodide |
| 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methyl-propenyl]-benzothiazolium,iodide |
| 1,3-Bis-(3-aethyl-benzothiazol-2-yl)-2-methyl-trimethinium,Jodid |
| MFCD00011955 |
| 3,3'-Diethyl-9-methylthiocarbocyanin Iodid (11b) |
| Benzothiazolium,3-ethyl-2-(3-(3-ethyl-2-benzothiazolinylidene)-2-methyl-1-propenyl)-,iodide |
| 1,3-bis-(3-ethyl-benzothiazol-2-yl)-2-methyl-trimethinium,iodide |
| 3,3'-Diethyl-9-methylthiacarbocyanine iodide |
| T0500-8750 |
| 3-Ethyl-2-(3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)benzothiazolium iodide |
| 3-ethyl-2-[3-(3-ethyl-3H-2-benzothiazolylidene)-2-methyl-1-propenyl] benzothiazolium iodide |
| EINECS 221-317-2 |
