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化合物简介
Trioxsalen (trimethylpsoralen, Trioxysalen or Trisoralen) is a furanocoumarin and a psoralen derivative. It is obtained from several plants, mainly Psoralea corylifolia. Like other psoralens it causes photosensitization of the skin. It is administered either topically or orally in conjunction with UV-A (the least damaging form of ultraviolet light) for phototherapy treatment of vitiligo and hand eczema. After photoactivation it creates interstrand cross-links in DNA, which can cause programmed cell death unless repaired by cellular mechanisms. In research it can be conjugated to dyes for confocal microscopy and used to visualize sites of DNA damage. The compound is also being explored for development of antisense oligonucleotides that can be cross-linked specifically to a mutant mRNA sequence without affecting normal transcripts differing at even a single base pair.
基本信息
CAS:3902-71-4
中文别名:4,5‘,8-三甲基补骨脂素;4,5’,8-三甲基补骨脂素;2,5,9-三甲基呋[3,2-g]苯并吡喃-7-酮;三甲沙林;4,5\',8-三甲基补骨脂素;
英文别名:Trioxysalenum;4,2\',8-trimethylpsoralen;Elder 8011;2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one;4,5\',8-Trimethylpsoralen;2,5,9-Trimethylfuro[3,2-g]benzopyran-7-one;Trioxisaleno;Trimethylpsoralen;4,5′,8-Trimethylpsoralen;Trioxysalen;Trioxysalene;2,5,9-trimethylfuro[3,2-g]chromen-7-one;4,5‘,8-Trimethylpsoralen;Trisoralen;
分子式:C14H12O3
分子量:228.243
精确质量:228.079
Psa:43.35
Logp:3.4644
中文别名:4,5‘,8-三甲基补骨脂素;4,5’,8-三甲基补骨脂素;2,5,9-三甲基呋[3,2-g]苯并吡喃-7-酮;三甲沙林;4,5\',8-三甲基补骨脂素;
英文别名:Trioxysalenum;4,2\',8-trimethylpsoralen;Elder 8011;2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one;4,5\',8-Trimethylpsoralen;2,5,9-Trimethylfuro[3,2-g]benzopyran-7-one;Trioxisaleno;Trimethylpsoralen;4,5′,8-Trimethylpsoralen;Trioxysalen;Trioxysalene;2,5,9-trimethylfuro[3,2-g]chromen-7-one;4,5‘,8-Trimethylpsoralen;Trisoralen;
分子式:C14H12O3
分子量:228.243
精确质量:228.079
Psa:43.35
Logp:3.4644
编号系统
UNII:Y6UY8OV51T
物化性质
外观与性状:结晶粉末
密度:1.236 g/cm3
沸点:389ºC at 760 mmHg
熔点:229-231ºC(lit.)
闪点:189.1ºC
折射率:1.613
储存条件:2-8ºC
密度:1.236 g/cm3
沸点:389ºC at 760 mmHg
熔点:229-231ºC(lit.)
闪点:189.1ºC
折射率:1.613
储存条件:2-8ºC
安全信息
安全说明:S26; S36/37/39; S45
危险类别码:R34; R40
危险品运输编码:UN 1759 8
海关编码:2932999099
危险品标志:C
危险性防范说明:P280; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS08
危险性描述:H314; H351
危险类别码:R34; R40
危险品运输编码:UN 1759 8
海关编码:2932999099
危险品标志:C
危险性防范说明:P280; P305 + P351 + P338; P310
信号词:Danger
危险标志:GHS05, GHS08
危险性描述:H314; H351
生产方法及用途
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上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

IR : KBr disc

IR : nujol mull
