CAS Number3476-50-4
SynonymsN-deacethylcolchicine; N-deacetylcolchicine; trimethylcolchicinic acid methyl ether; deacetylcolchicine; Desacetylcolchicine
Molecular FormulaC20H23NO5
Molecular Weight357.40000
Density1.25g/cm3
Boiling Point626.6ºC at 760mmHg
Appearancecrystalline solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 3476-50-4 |
| Catalog No. | 2A-3177444 |
| Chinese Name | Trimethylcolchicinic acid methyl ether |
| Synonyms | N-deacethylcolchicine; N-deacetylcolchicine; trimethylcolchicinic acid methyl ether; deacetylcolchicine; Desacetylcolchicine |
| Molecular Formula | C20H23NO5 |
| Molecular Weight | 357.40000 |
| Density | 1.25g/cm3 |
| Boiling Point | 626.6ºC at 760mmHg |
| Appearance | crystalline solid |
| HTC | 2922509090 |
| SMILES | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2 |
| InChI | InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3/t14-/m0/s1 |
| InChI Key | HFPMXDMZJUJZBX-AWEZNQCLSA-N |
| Use of | Trimethylcolchicinic acid methyl ether, Antimitotic agent that intercepts microtubles by binding to tubulin and preventing its polymerization. Stimulates the intrinsic GTPase activity of tubulin. Induces apoptosis in several normal and tumor cell lines and activates the JNK/SAPK signal. Properties Name Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3,10-tetramethoxy-, (7S) Synonym More Synonyms Chemical & Physical Properties Molecular Formula C20H23NO5 Exact Mass 357.15800 PSA 80.01000 LogP 3.39450 Index of Refraction 1.597 InChIKey HFPMXDMZJUJZBX-AWEZNQCLSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Colchicine, N-deacetyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C20-H23-N-O5 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : L B677 MV&T&J CO1 DO1 EO1 JZ NO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Unreported SPECIES OBSERVED : Mammal - cat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : Mutation test systems - not otherwise specified TYPE OF TEST : Mutation test systems - not otherwise specified MUTATION DATA TEST SYSTEM : Rodent - mouse DOSE/DURATION : REFERENCE : CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948- Volume(issue)/page/year: 3,134,1950 Safety Information WGK Germany 3 HS Code 2922509090 Synthetic Route 2-Methyl-2-prop... 186374-95-8 Trimethylcolchi... Literature: Lagnoux, David; Darbre, Tamis; Schmitz, M. Lienhard; Reymond, Jean-Louis Chemistry - A European Journal, 2005 , vol. 11, # 13 p. 3941 - 3950 Colchicine Trimethylcolchi... Literature: Zhang, Xuan; Zhang, Jie; Tong, Linjiang; Luo, Yu; Su, Mingbo; Zang, Yi; Li, Jia; Lu, Wei; Chen, Yi Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 11 p. 3240 - 3244 N-Boc-colchicin... 186374-94-7 Trimethylcolchi... Literature: Chemistry - A European Journal, , vol. 11, # 13 p. 3941 - 3950 Precursor & DownStream Precursor 9 CAS#:64-86-8 Colchicine CAS#:186374-94-7 N-Boc-colchicine CAS#:186581-53-3 diazomethane CAS#:3482-37-9 Trimethylcolchi... DownStream 10 CAS#:477-30-5 (-)-Demecolcine CAS#:1850-57-3 5,6-Dihydro-1,2... CAS#:64-86-8 Colchicine CAS#:518-11-6 COLCHICEINE, N-... |
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