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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)- (67-99-2)

Identification
Name: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)-
Synonyms:10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-, [3R-(3a,5ab,6b,10aa)]- (8CI); Gliotoxin (6CI,7CI);Aspergillin; S. N. 12870
CAS:67-99-2
Molecular Formula: C13H14 N2 O4 S2
Molecular Weight: 326.41
InChI: InChI=1/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
Molecular Structure: (C13H14N2O4S2) 10H-3,10a-Epidithiopyrazino[1,2-a]indole-1,4-dione,2,3,5a,6-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2...
Properties
Transport:UN 3462 6.1/PG 3
Melting Point: 153.5 deg C
Flash Point: 377°C
Boiling Point: 699.7°C at 760 mmHg
Density:1.74g/cm3
Refractive index:1.813
Solubility:Soluble in ethanol, ethyl ether, acetone, DMSO; slightly soluble in benzene
Soluble in water, acetone; slightly solluble in ether; insoluble in benzene
Sparingly soluble in pyridine
In water, 9.35X10+5 mg/L at 25 deg C (est)
Specification:
Safety Statements:36/37/39-45
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Packinggroup: III
Biological Activity: Immunosuppressive agent; blocks phagocytosis, cytokine production and proliferation of T and B cells. Non-competitively inhibits chymotrypsin-like activity of 20S proteasome; prevents degradation of I κ B α , an endogenous blocker of NF- κ B. Also inhibits farnesyltransferase and geranylgeranyltransferase I (IC 50 values are 80 and 17 μ M respectively) and displays antitumor activity against breast cancer in vivo .
Flash Point: 377°C
Storage Temperature: 2-8°C
Color: Prismatic needles from acetone, ethanol+ether or methanol+ethyl acetate
Crystals
Prisms, needles from acetone
Safety Data
 

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