2731-16-0

• 常用中文名：Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-
• 常用英文名：Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-
• CAS号：2731-16-0
• 分子式：C₂₀H₂₃NO₄S
• 分子量：373.46600
• 发布时间：2017-08-11 07:11:46
• 更新时间：2024-01-10 14:44:01

名称

• 英文名: (7S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
• 英文别名: N-Deacetylmethylthiocolchicine; Desacetyl thiocolchicine; (S)-7-amino-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one; deacetyl-10-thiocolchicine; N-deacetyl thiocolchicine; Colchicine,N-deacetyl-thio; Thiolcolciran; 7-deacetylthiocolchicine; Corps R. 261; N-Desacetylthiocolchicine; Thio-colciran; Deacetylthiocolchicine

物化性质

• 密度: 1.27g/cm3
• 沸点: 631.6ºC at 760mmHg
• 分子式: C₂₀H₂₃NO₄S
• 分子量: 373.46600
• 闪点: 335.8ºC
• 精确质量: 373.13500
• PSA: 96.08000
• LogP: 4.10780
• 蒸汽压: 7.33E-16mmHg at 25°C
• 折射率: 1.624

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : GH0875000 CHEMICAL NAME : Colchicine, N-deacetyl-10-thio- CAS REGISTRY NUMBER : 2731-16-0 BEILSTEIN REFERENCE NO. : 2822164 LAST UPDATED : 199612 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C20-H23-N-O4-S MOLECULAR WEIGHT : 373.50 WISWESSER LINE NOTATION : L B677 MV&T&J CO1 DO1 EO1 JZ NS1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 71 ug/kg/D TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting Blood - leukopenia REFERENCE : BAFEAG Bulletin de l'Association Francaise pour l'Etude du Cancer. (Paris, France) V.1-52, 1908-65. For publisher information, see BUCABS. Volume(issue)/page/year: 42,308,1955 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 175 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 98,479,1958 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 37 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 98,479,1958 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intracerebral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 109,386,1957 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2000 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 15,533,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BAFEAG Bulletin de l'Association Francaise pour l'Etude du Cancer. (Paris, France) V.1-52, 1908-65. For publisher information, see BUCABS. Volume(issue)/page/year: 42,308,1955 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 66 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,636,1981 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 80 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 107,150,1956 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous DOSE : 6 mg/kg SEX/DURATION : female 13-14 week(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death REFERENCE : ACEDAB Acta Endocrinologica, Supplementum (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) No.1- 1948- Volume(issue)/page/year: 166,435,1972

安全

• 海关编码: 2930909090

合成路线

2730-71-4 ~66% 2731-16-0

文献：Lee, Sun-Hee; Park, Sun-Kyoung; Kim, Jeong-Mi; Kim, Myung-Hwa; Kim, Kwang-Hee; Chun, Kwang-Woo; Cho, Kyung-Hea; Youn, Ji-Youn; Namgoong, Sung Keon Archiv der Pharmazie, 2005 , vol. 338, # 12 p. 582 - 589

64-86-8 ~% 2731-16-0

文献：Chang, Dong-Jo; Kim, Wan-Joo Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 14 p. 3121 - 3125

203584-67-2 ~10% 2731-16-0

文献：Shi, Qian; Verdier-Pinard, Pascal; Brossi, Arnold; Hamel, Ernest; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2277 - 2282

209810-38-8 ~% 2731-16-0

文献：Shi, Qian; Verdier-Pinard, Pascal; Brossi, Arnold; Hamel, Ernest; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2277 - 2282

209810-39-9 ~% 2731-16-0

文献：Shi, Qian; Verdier-Pinard, Pascal; Brossi, Arnold; Hamel, Ernest; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2277 - 2282

2731-16-0 ~% 2731-16-0

文献：Shi, Qian; Verdier-Pinard, Pascal; Brossi, Arnold; Hamel, Ernest; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 12 p. 2277 - 2282

上下游产品

上游产品  4
2730-71-4 64-86-8 209810-38-8 2731-16-0
下游产品  8
2731-16-0 2730-71-4 75776-08-8 76129-11-8
76129-16-3 92264-45-4 97043-05-5 63620-51-9

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%