8-Methoxypsoralen 8-甲氧基补骨脂素

CAS 298-81-7 MFCD00005009

化学结构图

298-81-7
SMILES: COC1C2OC=CC=2C=C2C=CC(=O)OC2=1

化学属性

Mol. FormulaC12H8O4
Mol. Weight216.19
Melting Point143-148°C
TSCAYes
SolubilitySoluble in acetone, ethanol (slight), acetic acid, and chloroform (50 mg/ml). Insoluble in water.
Density1.368
Appearance 8-甲氧基补骨脂素(298-81-7)难溶于水。具有强烈的光敏活性，易被长效紫外线激活而产生光毒作用，能使皮肤DNA合成及细胞分裂受到抑制。能在白斑部位集结紫外线，加速黑色素的生成。
Stability对光敏感
Boiling Point414.8°C at 760 mmHg
Flash Point204.7°C

别名和识别编码

Chemical Name8-Methoxypsoralen
MDL NumberMFCD00005009
CAS Number298-81-7
Synonym Methoxsalen {LY} Methoxsalen {} {LY} Methoxsalen {} {} {LY} Methoxsalen {} {} {} {LY} Methoxsalen {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methoxsalen {} {} {} {} {} {} {} {}
EC Number206-066-9
Merck Number5988
Beilstein Registry Number19(1)711
PubChem Substance ID87577878
Chemical Name Translation8-甲氧基补骨脂素
Reaxys-RN196453
Wiswesser Line NotationT C566 DO LVOJ BO1
LabNetwork Molecule IDLN00238920
InChIInChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
Canonical SMILESO=C1OC(C(C=C1)=C2)=C(OC)C3=C2C=CO3
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分类

  • {SNA} Analytic
  • {SA} Alphabetic, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, Cell Biology, Chemical Structure, Chromatography, Drugs of Abuse, Forensic and Veterinary Standards, M, META - METH, Others
  • {SNA} Additional Standards, Alphabetical, Analytical Standards, Angelica, Carum, Chromatography, Citrus, Foeniculum, Food and Cosmetic Component Standards, Life Sciences Standards, Natural Compounds, Phenylpropanes, Phytochemical Standards, Pimpinella,

产品应用

  • A potent suicide inhibitor of cytochrome P-450.

相关文献及参考

  • Merck: 14,5988
  • Merck: 14,5988 Beilstein:19(1)711
  • [1]. Alsharari SD, et al. Pharmacokinetic and Pharmacodynamics Studies of Nicotine After Oral Administration in Mice: Effects of Methoxsalen, a CYP2A5/6 Inhibitor. Nicotine Tob Res. 2014 Jan;16(1):18-25.

安全信息

RTECSLV1400000
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
Risk Statements
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P312+P330
  • P301+P330+P331
  • P305+P351+P338
  • P308+P311
  • P308+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P342+P311
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Hazard Codes Xn
Packing GroupII
UN Number
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 18025 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
   Sense Organs and Special Senses (Olfaction) - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-359,1989

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 158 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 2,309,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 423 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - changes in motor activity (specific assay)
   Behavioral - ataxia
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 2,309,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 505 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   48PRAW "Psoralens in Cosmetics and Dermatology, Proceedings of the
   International Symposium, Paris, 1981," Cahn, J., et

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : In

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOS

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 505 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   48PRAW "Psoralens in Cosmetics and Dermatology, Proceedings of the
   International Symposium, Paris, 1981," Cahn, J.,

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 666 ug/plate
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-359,1989

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 100 mg/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-359,1989

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 50 umol/L
REFERENCE :
   BUCABS Bulletin du Cancer.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.53-
   1966-  Volume(issue)/page/year: 67,245,1980

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 50 umol/L
REFERENCE :
   BUCABS Bulletin du Cancer.  (SPPIF, B.P.22, F-41353 Vineuil, France)  V.53-
   1966-  Volume(issue)/page/year: 67

TYPE OF TEST            : Sister chromatid exchange

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 33300 ug/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-359,1989

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   PLMEAA Planta Medica.  (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart
   1, Fed. Rep. Ger.) V.1-    1953-  Volume(issue)/page/year: 42,333,1981

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1600 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB92-219666

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 800 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Maternal Effects - other effects
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB92-219666

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1600 mg/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB92-219666

其他信息

  • Sigma Aldrich:298-81-7(sigmaaldrich)
  • 8-甲氧基补骨脂素价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 X0009 花椒毒素 Xanthotoxin 1G 422元 2014/06/02 X0009 花椒毒素 Xanthotoxin 100MG 117元 2010/06/21 214150050 8-甲氧基补骨脂素 8-Methoxypsoralen 99% 5 GR 1814元
  • 用途二:治疗牛皮癣、白癫风。
  • TCI Shanghai:8-甲氧基补骨脂素 or 花椒毒素 Xanthotoxin,>;98.0%(GC)(298-81-7)
  • 用途一:用于治疗牛皮癣、白癫风等疾病
  • MOL 文件:298-81-7.mol
  • 图谱信息:8-甲氧基补骨脂素(298-81-7)核磁图( 1 HNMR) 8-甲氧基补骨脂素(298-81-7)红外图谱(IR1) 8-甲氧基补骨脂素(298-81-7)质谱(MS) 8-甲氧基补骨脂素(298-81-7)Raman光谱
  • F:10
  • Acros Organics:8-甲氧基补骨酯 8-Methoxypsoralen, 99%(298-81-7)
  • Alfa Aesar:8-甲氧基补骨脂素,99% 8-Methoxypsoralen, 99%(298-81-7)
  • MSDS 信息:Methoxsalen(298-81-7).msds

系列性分类

  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Chemical Classification - Nutrition Research
  4. Plant Extracts - Phytochemicals by Chemical Classification
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Fluorescent Probes, Labels, Particles and Stains - Biochemicals and Reagents
  4. Detection - Fluorescent Probes, Labels, Particles and Stains
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Phytopharma Standards - Life Sciences Standards
  6. Standards by Plant Genus - Phytopharma Standards
  7. Citrus - Standards by Plant Genus
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  1. Medical Research Areas
  2. Metabolism
  3. Cytochrome P450  (细胞色素P450)

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