Ditryptophenaline

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0649
CAS
64947-43-9
Product Name
Ditryptophenaline
Structure

Product Details

Description
Ditryptophenaline is an alkaloid metabolite of Aspergillus flavus. Ditryptophenaline exhibits potential analgesic and anti-inflammatory activities. It is a tachykinin antagonist.
Synonyms
(-)-ditryptophenaline; Chaetocin, 2,5:2',5'-dide(epidithio)-19,19'-dideoxy-19,19'-diphenyl-, (2'beta,5'alpha,7'S,15'beta)-; [10b,10'b-Bi-10bH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole]-1,1',4,4'-tetrone, 2,2',3,3',5a,5'a,6,6',11,11',11a,11'a-dodecahydro-2,2'-dimethyl-3,3'-bis(phenylmethyl)-, (3S,3'S,5aS,5'aS,10bS,10'bS,11aS,11'aS)-
IUPAC Name
(1S,4S,7S,9S)-4-benzyl-9-[(1S,4S,7S,9S)-4-benzyl-5-methyl-3,6-dioxo-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-trien-9-yl]-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Molecular Weight
692.80
Molecular Formula
C42H40N6O4
Canonical SMILES
CN1C(C(=O)N2C(C1=O)CC3(C2NC4=CC=CC=C43)C56CC7C(=O)N(C(C(=O)N7C5NC8=CC=CC=C68)CC9=CC=CC=C9)C)CC1=CC=CC=C1
InChI
InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32-,33-,34-,39-,40-,41+,42+/m0/s1
InChIKey
IQIGYVQQRKFGLN-HSYVCWSSSA-N
Melting Point
204-205°C
Purity
98.0%
Density
1.5±0.1 g/cm3
Solubility
Soluble in Dichloromethane, Methanol
Appearance
Crystal
Storage
Store at 2-8°C
Form
Powder
Packaging
1 mg
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