67-99-2 (胶霉毒素,Gliotoxin)

CAS号:
67-99-2
中文名称:
胶霉毒素
英文名称:
Gliotoxin
分子式:
C13H14N2O4S2
分子量:
326.391260623932
简介:
胶霉毒素作为烟曲霉产生的真菌毒素之一, 对哺乳动物细胞具有免疫抑制及促凋亡作用。其通过抑制NAPDH 氧化酶活性进而抑制粒细胞抗微生物作用。

植物源:

胶霉毒素(67-99-2)名称与标识符

名称

中文别名:
胶霉毒素;T-2 三醇 T-2 毒素代谢物标准品 T-2 toxin Triol;胶霉毒素, 来源于缨粘帚霉;胶霉素;胶黏毒素;胶黏毒素标准品;胶黏毒素标准品Gliotoxin;
英文别名:
10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, (3R,5aS,6S,10aR)-;10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, (3R,5aS,6S,10aR;Gliotoxin;Gliotoxin (S. N. 12870, Aspergillin, NSC102866);Gliotoxin solution;Gliotoxin from Gliocladium fimbriatum;Gliotoxin,(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione;Aspergillin;S.N. 12870;Gliotoxin, Gladiocladium fimbriatum;5L648PH06K;Gliotoxins;(3R,5aS,6S,10aR);HMS3403M19;6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione;HMS1990M19;UNII-5L648PH06K;NSC102866;10H-3,10A-EPIDITHIOPYRAZINO(1,2-A)INDOLE-1,4-DIONE, 2,3,5A,6-TETRAHYDRO-6-HYDROXY-3-(HYDROXYMETHYL)-2-METHYL-, (3R,5AS,6S,10AR)-;CCRIS 4025;GLIOTOXIN [MI];BG162731;(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione;4-27-00-08902 (Beilstein Handbook Reference);10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3- (hydroxymethyl)-2-methyl-, (3R-(3-alpha,5a-beta,6-beta,10a-alpha))-;BDBM50134315;CS-0029133;HMS1792M19;CCG-35318;HB4612;AKOS024457211;SR-05000002340;MFCD00058534;Q413364;DTXSID60877179;HY-N6727;(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,5a,6-tetrahydro-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione;BRN 0050675;PI129;(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydr o-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-e pidithiopyrazino[1,2-a]indole-1,4-dione;CCG-36058;CHEMBL331627;BSPBio_001237;2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4 dione;CHEBI:5385;67-99-2;NS00011815;NSC-102866;(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione;QTL1_000040;SCHEMBL54420;S. N.-12870;AC-31273;SR-05000002340-2;(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione;10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-;NCGC00163466-01;NSC 102866;F82160;7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-9,12-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,13-dione;AI3-62383;NCGC00163466-02;7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo(9.2.2.01,9.03,8)pentadeca-3,5-diene-10,14-dione;(3R,5aS,6S,10aR)-2,3,5a,6-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-10H-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione;7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione;S. N. 12870;Glitoxin;FIVPIPIDMRVLAY-RBJBARPLSA-N;10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione, 2,3,5a,6-hydroxy-3-(hydroxymethyl)-2-methyl-, (3R-(3-alpha,5a-beta,6-beta,10a-alpha))-;2,3,5a,6-Tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10H-3a,10a-epidithio-pyrazinol(1,2alpha)indole-1,4-dione;(3R,5aS,6S,10aR)-6-hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione;DTXCID701015261;DA-63781;7-hydroxy-11-hydroxymethyl-12-methyl-14,15-dithia-9,12-diazatetracyclo(9.2.2.01,9.03,8)pentadeca-3,5-diene-10,13-dione;GLXC-20768;10H-3,10a-Epidithiopyrazino(1,2-a)indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-;6-Hydroxy-3-(hydroxymethyl)-2-methyl-2,3,6,10-tetrahydro-5aH-3,10a-epidithiopyrazino(1,2-a)indole-1,4-dione;2,3,5a,6-Tetrahydro-6-hydroxy-3(hyroxymethyl)-2-methyl-10H-3a,10a-epidithio-pyrazinol[1,2alpha]indole-1,4-dione;

标识符

InChIKey:
FIVPIPIDMRVLAY-RBJBARPLSA-N
Inchi:
1S/C13H14N2O4S2/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
SMILES:
S1[C@]23C(N(C)[C@@](CO)(C(N2[C@@H]2[C@H](C=CC=C2C3)O)=O)S1)=O
BRN:
0050675

胶霉毒素(67-99-2)物化性质

实验特性

  • LogP : -0.42790
  • PSA : 131.68000
  • Merck : 13,4454
  • 折射率 : 1.6510 (estimate)
  • 沸点 : 699.7°C at 760 mmHg
  • 熔点 : 221°C (rough estimate)
  • 闪点 : 2℃
  • 溶解度 : chloroform: 10 mg/mL, clear, colorless
  • 颜色与性状 : Powder
  • 溶解性 : 溶于乙醇等有机溶剂。
  • 比旋光度 : D25 -290° (c = 0.08 in ethanol)
  • 密度 : 1.4069 (rough estimate)

计算特性

  • 精确分子量 : 326.03900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 1
  • 同位素质量 : 142.026609
  • 重原子数量 : 21
  • 复杂度 : 621
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.7
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 132
  • 分子量 : 326.4

胶霉毒素(67-99-2)安全信息

胶霉毒素(67-99-2)国际标准相关数据

EINECS:
4025

胶霉毒素(67-99-2)海关数据

海关编码:
29419090

胶霉毒素(67-99-2)相关文献

胶霉毒素(67-99-2)参考资料

Reaxys RN:
PubChem CID: