178945-27-2

Basic information

• Product Name: 1H-Indole-1-carboxylic acid, 3-[2,5-dihydro-1-methyl-2,5-dioxo-4-[5-(phenylmethoxy)-1H-indol-3-yl]-1 H-pyrrol-3-yl]-6-(phenylmethoxy)-, 1,1-dimethylethyl ester
• CAS NO: 178945-27-2
• Molecular Formula: C40H35N3O6
• Molecular Weight: 653.734
• Mol File: 178945-27-2.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1H-Indole-1-carboxylic acid, 3-[2,5-dihydro-1-methyl-2,5-dioxo-4-[5-(phenylmethoxy)-1H-indol-3-yl]-1 H-pyrrol-3-yl]-6-(phenylmethoxy)-, 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1-carboxylic acid, 3-[2,5-dihydro-1-methyl-2,5-dioxo-4-[5-(phenylmethoxy)-1H-indol-3-yl]-1 H-pyrrol-3-yl]-6-(phenylmethoxy)-, 1,1-dimethylethyl ester(178945-27-2)
• EPA Substance Registry System: 1H-Indole-1-carboxylic acid, 3-[2,5-dihydro-1-methyl-2,5-dioxo-4-[5-(phenylmethoxy)-1H-indol-3-yl]-1 H-pyrrol-3-yl]-6-(phenylmethoxy)-, 1,1-dimethylethyl ester(178945-27-2)

Safety Data

• Hazardous Substances Data: 178945-27-2(Hazardous Substances Data)

Usage

Molecular structure

1H-Indole-1-carboxylic acid, 3-[2,5-dihydro-1-methyl-2,5-dioxo-4-[5-(phenylmethoxy)-1H-indol-3-yl]-1H-pyrrol-3-yl]-6-(phenylmethoxy)-, 1,1-dimethylethyl ester is a complex organic compound with an indole ring, a pyrrole ring, and multiple functional groups attached to it.

Functional groups

The compound contains an indole carboxylic acid group (-COOH), a t-butyl ester group (-OC(CH3)3), phenylmethoxy groups (-OCH2Ph), and a pyrrol-3-yl group.

Stereochemistry

The compound has a 2,5-dihydro-1-methyl-2,5-dioxo-4moiety, which indicates the presence of a six-membered ring with two hydrogen atoms in the 2 and 5 positions, a methyl group at the 1 position, and two oxygen atoms in the 2 and 5 positions.

Potential applications

Due to its complex structure and functional groups, this compound may have potential applications in pharmaceuticals or organic synthesis.

Further research

To determine the specific properties and potential uses of this compound, further research and testing would be necessary. This includes analyzing its solubility, stability, reactivity, and biological activity.

Upstream product

• 1215-59-4 5-benzyloxy-1H-indole 
• 174402-44-9 tert-butyl 6-(benzyloxy)-3-(4-bromo-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)-1H-indole-1-carboxylate 
• 174402-43-8 3-(6-benzyloxy-1H-indol-3-yl)-4-bromo-1-methyl-pyrrole-2,5-dione 
• 153805-85-7 1-[(E)-2-(5-benzyloxy-2-nitrophenyl)vinyl]pyrrolidine 
• 100-44-7 benzyl chloride 
• 24424-99-5 di-tert-butyl dicarbonate 
• 2581-34-2 3-methyl-4-nitrophenol 

Downstream Products

• 178945-29-4 2,5-dihydro-3-(5-benzyloxy-1H-indol-3-yl)-4-(6-benzyloxy-1H-indol-3-yl)-1-methyl-1H-pyrrole-2,5-dione 
• 848086-46-4 6-benzyloxy-3-{4-[5-benzyloxy-1-(3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-1H-indol-3-yl]-1-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl}-indole-1-carboxylic acid tert-butyl ester 
• 848086-47-5 3-(6-Benzyloxy-1H-indol-3-yl)-4-[5-benzyloxy-1-((2R,3R,4S,5R,6R)-3,4,5-tris-benzyloxy-6-benzyloxymethyl-tetrahydro-pyran-2-yl)-1H-indol-3-yl]-1-methyl-pyrrole-2,5-dione 

Relevant articles and documents

Synthesis and biological activities of NB-506 analogues: Effects of the positions of two hydroxyl groups at the indole rings

In the course of a study of 6-N-amino-substituted analogues of NB-506 (1), a more potent anticancer drag, J-109,404 (2), in which the formyl group of NB-506 was replaced with a 1,3-dihydroxypropane group, was reported. A study of further modification in the positions of two hydroxyl groups at the indole rings of 2 resulted in the discovery of a 2,10-dihydroxy analogue, J- 107,088 (3), which is a promising anticancer agent with a broader therapeutic window than J-109,404.