N-((4-Amino-2-Methylpyrimidin-5-Yl)Methyl)-N-(5-Hydroxy-3-(((Tetrahydrofuran-2-Yl)Methyl)Disulfanyl)Pent-2-En-2-Yl)Formamide N-((4-氨基-2-甲基嘧啶-5-基)甲基)-N-(5-羟基-3-(((四氢呋喃-2-基)甲基)二硫烷基)戊-2-烯-2-基)甲酰胺

CAS 804-30-8 MFCD00867383

化学结构图

804-30-8
SMILES: C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N

化学属性

Mol. FormulaC17H26N4O3S2
Mol. Weight398.59
Melting Point130-136 ºC (DECOMPOS.)
Appearance 白色或微黄色结晶性粉末。熔点130-136℃（分解）。易溶于甲醇，乙醇，氯仿，微溶于丙酮，不溶于苯，乙醚，略有蒜臭。

别名和识别编码

Chemical NameN-((4-Amino-2-Methylpyrimidin-5-Yl)Methyl)-N-(5-Hydroxy-3-(((Tetrahydrofuran-2-Yl)Methyl)Disulfanyl)Pent-2-En-2-Yl)Formamide
EC Number212-357-1
Synonym ((tetrahydrofurfuryl)dithio)-1-butenyl)- Adventan Alinamin F Disulfide, Thiamine Tetrahydrofurfuryl Diteftin FURSULTIAMINE FURSULTIAMINE HYDROCHLORIDE Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]-1-butenyl]- (6CI, 8CI) Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]- Fursultiamin Fursultiamin Hydrochloride Fursultiamin Monohydrochloride Fursultiamine Fursultiamine Base Fursultiaminlim Fursutiamine Hydrochloride, Fursultiamin Judolor Linamin Monohydrochloride, Fursultiamin N-(4-Amino-2-methylpyrimidin-5-ylmethyl)-N-[4-hydroxy-1-methyl- 2-(tetrahydrofurfuryldit
CAS Number804-30-8
MDL NumberMFCD00867383
Chemical Name TranslationN-((4-氨基-2-甲基嘧啶-5-基)甲基)-N-(5-羟基-3-(((四氢呋喃-2-基)甲基)二硫烷基)戊-2-烯-2-基)甲酰胺
Wiswesser Line NotationT6N CNJ B1 DZ E1NVHY1&UY2QSS1- BT5OTJ
Beilstein Registry Number0052964
LabNetwork Molecule IDLN01867644
PubChem Substance ID3002119
InChIInChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+
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安全信息

RTECSLQ0750000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,699,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 540 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #3016380

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 430 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,699,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 540 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TAKHAA Takeda Kenkyusho Ho.  Journal of the Takeda Research Laboratories.
   (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
   Japan)  V.29-    1970-  Volume(issue)/page/year: 30,242,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of t

其他信息

  • 用途二:该品为维生素B1活性型衍生物，药效较维生素B1迅速而持久。
  • 用途一:为维生素B1的活性型衍生物，其特点是不受体内硫胺酶所破坏，因此吸收迅速而作用持久
  • 方法一:由硫胺盐酸盐开环后与四氢呋喃甲基硫代硫酸钠缩合而得。
  • MOL 文件:804-30-8.mol
  • 上游原料:硫酸二甲酯 --> 丙烯腈 --> alpa-乙酰基-gama-丁酯

系列性分类

  1. Functional Group 官能团索引
  2. disulfide

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