Ceratamine A

Base Information

Chemical Name:Ceratamine A
CAS No.:634151-15-8
Molecular Formula:C17H16Br2N4O2
Molecular Weight:468.14300
Hs Code.:
ChEMBL ID:CHEMBL1277687
DSSTox Substance ID:DTXSID80467455
Metabolomics Workbench ID:64017
Nikkaji Number:J1.984.967H
Wikidata:Q27134074
Mol file:634151-15-8.mol

Synonyms:ceratamine A

Suppliers and Price of Ceratamine A

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
Packaging
price

Biosynth Carbosynth
Ceratamine A
5 mg
$ 1706.30

Biosynth Carbosynth
Ceratamine A
1 mg
$ 516.20

American Custom Chemicals Corporation
CERATAMINE A 95.00%
10MG
$ 2148.30

American Custom Chemicals Corporation
CERATAMINE A 95.00%
1MG
$ 878.85

AK Scientific
CeratamineA
2mg
$ 1316.00

Total 4 raw suppliers

Chemical Property of Ceratamine A

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:236 °C(Solv: methanol (67-56-1))
Boiling Point:543.271oC at 760 mmHg
PKA:8.87±0.20(Predicted)
Flash Point:282.36oC
PSA：69.04000
Density:1.722g/cm3
LogP:3.56760
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:467.96195
Heavy Atom Count:25
Complexity:674

Purity/Quality:

98%Min ^*data from raw suppliers

Ceratamine A ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1=NC2=C(C(=O)N(C=CC2=N1)C)CC3=CC(=C(C(=C3)Br)OC)Br
Uses An antimitotic heterocyclic alkaloid isolated from the marine sponge Pseudoceratina sp. collected in Papua New Guinea.

Technology Process of Ceratamine A

There total 11 articles about Ceratamine A 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: 85.0%

: 1509904-02-2
C₁₇H₂₀Br₂N₄O₂

: 634151-15-8
ceratamine A

Guidance literature:: With pyridine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 35 ℃; for 1h;
DOI:10.1021/jo402165n

Reference yield: 43.0%

: 634151-16-9
ceratamine B

: 74-88-4
methyl iodide

: 634151-15-8
ceratamine A

Guidance literature:: ceratamine B; With sodium hexamethyldisilazane; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 ℃;

methyl iodide; In tetrahydrofuran; N,N-dimethyl-formamide; at -78 - -10 ℃;

With water; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/ol900709n

Reference yield:

: 1509903-91-6
C₈H₁₀N₂O

: 634151-15-8
ceratamine A

Guidance literature:: Multi-step reaction with 9 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 1 h / -18 - 0 °C

1.2: 4 h / -18 - 20 °C

2.1: hydrogenchloride / 1,4-dioxane; water / 20 °C

3.1: phosphoric acid; sodium azide / tetrahydrofuran; water / 4 h / 60 °C

4.1: sodium hydride / N,N-dimethyl-formamide / 0.5 h / -5 °C

4.2: 2 h / 20 °C

5.1: 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; n-butyllithium / tetrahydrofuran; hexane / 1.67 h / -78 °C

5.2: 9 h / -18 - 70 °C

6.1: N-Bromosuccinimide / tetrahydrofuran / 0 °C

7.1: tetrahydrofuran; 1,4-dioxane / 12 h / 120 °C / Molecular sieve; Sealed tube

8.1: aluminum (III) chloride / dichloromethane / 1 h / 20 °C

9.1: pyridine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 1 h / 35 °C

With pyridine; hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; aluminum (III) chloride; N-Bromosuccinimide; n-butyllithium; sodium azide; phosphoric acid; sodium hydride; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In tetrahydrofuran; 1,4-dioxane; hexane; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/jo402165n