Pibrozelesin hydrobromide

Base Information

Chemical Name:Pibrozelesin hydrobromide
CAS No.:148778-32-9
Molecular Formula:BrH*C₃₂H₃₆BrN₅O₈
Molecular Weight:779.482
Hs Code.:
UNII:0481JCC90T
NCI Thesaurus Code:C73816
ChEMBL ID:CHEMBL2106438

Synonyms:Benzo(1,2-b:4,3-b')dipyrrole-1-carboxylic acid, 8-(bromomethyl)-3,6,7,8-tetrahydro-2-methyl-4-(((4-methyl-1-piperazinyl)carbonyl)oxy)-6-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (S)-;KW 2189;KW-2189;methyl(1S)-1-bromomethyl-7-methyl-5-((4-methylpiperazinyl)carbonyloxy)-3-((5,6,7-trimethoxy-2-indolyl)carbonyl)-1,2-dihydro-3H-pyrrolo(3,2-e)indole-8-carboxylate hydrobromide

Suppliers and Price of Pibrozelesin hydrobromide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Pibrozelesin hydrobromide

Chemical Property:

Boiling Point:879.2°Cat760mmHg
Flash Point:485.5°C
Density:g/cm³
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:779.09884
Heavy Atom Count:47
Complexity:1130

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C2=C3C(CN(C3=CC(=C2N1)OC(=O)N4CCN(CC4)C)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC.Br
Isomeric SMILES:CC1=C(C2=C3[C@@H](CN(C3=CC(=C2N1)OC(=O)N4CCN(CC4)C)C(=O)C5=CC6=CC(=C(C(=C6N5)OC)OC)OC)CBr)C(=O)OC.Br

Technology Process of Pibrozelesin hydrobromide

There total 2 articles about Pibrozelesin hydrobromide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 154889-68-6,134106-78-8
3-methoxycarbonyl-2-methyl-8-O-(4-methyl-1-piperazinylcarbonyl)duocarmycin B2

: 148778-32-9
methyl (1S)-1-(bromomethyl)-7-methyl-5-[(4-methylpiperazinyl)carbonyloxy]-3-[(5,6,7-trimethoxy-2-indolyl)-carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-8-carboxylatehydrobromide

Guidance literature:: With hydrogen bromide; In methanol; acetone; at 25 ℃; for 16h; Cooling with ice;
DOI:10.1021/op980038k

Reference yield:

: methyl (1S,7R)-1-(bromomethyl)-8-hydroxy-7-methyl-5-[(4-methylpiperazinyl)carbonyloxy]-3-[(5,6,7-tri-methoxy-2-indolyl)carbonyl]-1,2,7,8-tetrahydro-3H-pyrrolo[3,2-e]indole-7-carboxylate

: 148778-32-9
methyl (1S)-1-(bromomethyl)-7-methyl-5-[(4-methylpiperazinyl)carbonyloxy]-3-[(5,6,7-trimethoxy-2-indolyl)-carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-8-carboxylatehydrobromide

Guidance literature:: Multi-step reaction with 2 steps

1: methanesulfonic acid / 1,2-dichloro-ethane / 5 h / 50 °C

2: hydrogen bromide / methanol; acetone / 16 h / 25 °C / Cooling with ice

With methanesulfonic acid; hydrogen bromide; In methanol; 1,2-dichloro-ethane; acetone; 1: |Wagner-Meerwein Rearrangement;
DOI:10.1021/op980038k

Reference yield:

: 148778-32-9
methyl (1S)-1-(bromomethyl)-7-methyl-5-[(4-methylpiperazinyl)carbonyloxy]-3-[(5,6,7-trimethoxy-2-indolyl)-carbonyl]-1,2-dihydro-3H-pyrrolo[3,2-e]indole-8-carboxylatehydrobromide

: 153925-97-4,134106-68-6
3-methoxycarbonyl-2-methylduocarmycin A

Guidance literature:: With mouse serum; at 37 ℃; for 0.5h; pH=7.4; Further Variations:; Reagents; Temperatures; Product distribution; Enzymatic reaction;
DOI:10.1016/S0968-0896(99)00293-X