(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-Mercapto-9H-Purin-9-Yl)Tetrahydrofuran-3,4-Diol 6-疏基嘌呤核苷

CAS 574-25-4 MFCD00005743

化学结构图

574-25-4
SMILES: OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O

化学属性

Mol. FormulaC10H12N4O4S
Mol. Weight284.29
Melting Point220-223 °C
Boiling Point714.7±70.0 °C at 760 mmHg

别名和识别编码

Chemical Name(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-Mercapto-9H-Purin-9-Yl)Tetrahydrofuran-3,4-Diol
MDL NumberMFCD00005743
CAS Number574-25-4
Synonym 6-​Thioinosine {LY} 6-​Thioinosine {} {LY} 6-​Thioinosine {} {} {LY} 6-​Thioinosine {} {} {} {LY} 6-​Thioinosine {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 6-​Thioinosine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID676166
Beilstein Registry Number40536
EC Number209-371-5
Chemical Name Translation6-疏基嘌呤核苷
Wiswesser Line NotationT56 BN DN FN HNJ ISH D- BT5OTJ CQ DQ E1Q
LabNetwork Molecule IDLN02126310
InChIInChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1
Canonical SMILESS=C1NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3
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分类

  • {SNA} Carbohydrate Chemistry, Carbohydrate Derivatives, Chemical Biology, Chemical Synthesis

安全信息

RTECSUP0710000
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
WGK Germany3
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S22 Do not breathe dust 不要吸入粉尘；
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 4,467,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1240 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 4,467,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 4,467,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >8 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 4,467,1973

TYPE OF TEST            : LD50 - Lethal

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TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 200 ug/plate
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: 44,96,1985

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 87500 ug/kg
SEX/DURATION            : female 9-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 6,2170,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 175 mg/kg
SEX/DURATION            : female 9-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 6,2170,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 350 mg/kg
SEX/DURATION            : female 9-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - skin and skin
   appendages
   Reproductive - Specific Developmental Abnormalities - homeostasis
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 6,2170,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 87500 ug/kg
SEX/DURATION            : female 9-15 d

Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitro

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Nucleosides, Nucleotides, Oligonucleotides - Biochemicals and Reagents
  4. Synthetic Oligonucleotides and Related Reagents - Nucleosides, Nucleotides, Oligonucleotides
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Carbohydrate Chemistry - Chemical Biology
  4. Carbohydrate Derivatives 碳水化合物衍生物

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