Bruceantin

Base Information Edit

Chemical Name:Bruceantin
CAS No.:41451-75-6
Molecular Formula:C28H36O11
Molecular Weight:548.587
Hs Code.:
UNII:S3NW88DI4T
ChEMBL ID:CHEMBL509895
Metabolomics Workbench ID:70196
NCI Thesaurus Code:C1025
Nikkaji Number:J37.063K
NSC Number:165563
Wikidata:Q27105979
Wikipedia:Bruceantin
Mol file:41451-75-6.mol

Synonyms:bruceantin

Suppliers and Price of Bruceantin

Supply Marketing:Edit

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

TRC
Bruceantin
1mg
$ 130.00

Medical Isotopes, Inc.
Bruceantin
2.5 mg
$ 650.00

Biosynth Carbosynth
Bruceantin
25 mg
$ 700.00

Biosynth Carbosynth
Bruceantin
10 mg
$ 350.00

Biosynth Carbosynth
Bruceantin
5 mg
$ 205.00

Biosynth Carbosynth
Bruceantin
2 mg
$ 116.00

Biosynth Carbosynth
Bruceantin
1 mg
$ 65.00

Total 79 raw suppliers

Chemical Property of Bruceantin Edit

Chemical Property:

Vapor Pressure:1.14E-24mmHg at 25°C
Melting Point:225-226℃
Refractive Index:1.597
Boiling Point:731°Cat760mmHg
PKA:8.81±0.70(Predicted)
Flash Point:239.4°C
PSA：165.89000
Density:1.41g/cm³
LogP:1.15310
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:548.22576196
Heavy Atom Count:39
Complexity:1200

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bruceantin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O
Isomeric SMILES:CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O
Uses Bruceantin is a pharmacological agent which has been shown to induce apoptosis in human promyelocytic leukemia cells. Antiamoebic agent.

Technology Process of Bruceantin

There total 42 articles about Bruceantin 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: 19.0%

: 55812-88-9
3,11,12-Tri-O-acetylbruceantin

: 41451-75-6
Bruceantin

Guidance literature:: With hydrogenchloride; sulfuric acid; In methanol; for 30h; Heating;
DOI:10.1021/jo00289a027

Reference yield:

: 63306-30-9,84607-61-4
bruceoside A

: 41451-75-6
Bruceantin

Guidance literature:: DOI:10.1002/jps.2600701014

Reference yield:

: 122554-76-1
3-(tert-Butyldimethylsiloxy)-13,20-epoxy-11β,12α-dihydroxy-2,16-dioxopicras-3-en-21-oic Acid Methyl Ester

: 41451-75-6
Bruceantin

Guidance literature:: Multi-step reaction with 9 steps

1: 73 percent / DMAP / CH₂Cl₂ / 15 h / Ambient temperature

2: n-Bu₄NF / tetrahydrofuran / 0.5 h / 0 °C

3: DMAP, pyridine / CH₂Cl₂ / 1.5 h / Ambient temperature

4: 84 percent / NaBH₄ / ethanol; tetrahydrofuran; CH₂Cl₂ / 6 h / 0 °C

5: 63 percent / POCl₃, pyridine / 4 h / 100 °C

6: 1. OsO₄, 2. NaHSO₃ / 1. THF, pyridine, a. 1h, RT, b. 20min; 2. H₂O, pyridine, RT, 1h; or MCPBA

7: 73 percent / Ag₂O / acetonitrile / 1 h / 80 °C

8: 81 percent / DMAP, DCC / CH₂Cl₂ / Ambient temperature

9: 19 percent / 3M H₂SO₄, 12M HCl / methanol / 30 h / Heating

With pyridine; hydrogenchloride; dmap; sodium tetrahydroborate; osmium(VIII) oxide; sulfuric acid; tetrabutyl ammonium fluoride; sodium hydrogensulfite; dicyclohexyl-carbodiimide; silver(l) oxide; trichlorophosphate; In tetrahydrofuran; methanol; ethanol; dichloromethane; acetonitrile;
DOI:10.1021/jo00289a027