Cinobufotalin

Base Information

Chemical Name:Cinobufotalin
CAS No.:1108-68-5
Molecular Formula:C26H34 O7
Molecular Weight:458.552
Hs Code.:
European Community (EC) Number:634-568-1
NSC Number:90326
UNII:L0QBZ37386
DSSTox Substance ID:DTXSID101026581
Nikkaji Number:J7.257E
Wikidata:Q63409230
NCI Thesaurus Code:C151929
Metabolomics Workbench ID:121121
ChEMBL ID:CHEMBL517341
Mol file:1108-68-5.mol

Synonyms:cinobufotalin

Suppliers and Price of Cinobufotalin

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

Usbiological
Cinobufotalin
10mg
$ 632.00

TRC
Cinobufotalin
100mg
$ 860.00

Sigma-Aldrich
Cinobufotalin
10mg
$ 348.00

Medical Isotopes, Inc.
Cinobufotalin 98%
20 mg
$ 750.00

DC Chemicals
Cinobufotalin >98%
100 mg
$ 650.00

DC Chemicals
Cinobufotalin >98%
1 g
$ 2600.00

DC Chemicals
Cinobufotalin >98%
250 mg
$ 1300.00

Crysdot
Cinobufotalin 98+%
10mg
$ 105.00

Crysdot
Cinobufotalin 98+%
5mg
$ 63.00

ChemScene
Cinobufotalin 99.86%
5mg
$ 108.00

Total 71 raw suppliers

Chemical Property of Cinobufotalin

Chemical Property:

Vapor Pressure:2.28E-18mmHg at 25°C
Melting Point:259 - 262oC
Boiling Point:627.3 ºC at 760 mmHg
PKA:14.67±0.70(Predicted)
Flash Point:210.7 ºC
PSA：109.50000
Density:1.34 g/cm³
LogP:2.91480
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:458.23045342
Heavy Atom Count:33
Complexity:972

Purity/Quality:

≥98% ^*data from raw suppliers

Cinobufotalin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T+
Statements: 26/27/28
Safety Statements: 22-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5(C3(CCC(C5)O)C)O)C)C6=COC(=O)C=C6
Isomeric SMILES:CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6
Recent ClinicalTrials:Study of TCM Syndrome of Hepatocellular Carcinoma and Colorectal Cancer Based on System Science

Technology Process of Cinobufotalin

There total 2 articles about Cinobufotalin 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:

: 1030609-22-3
cinobufotalin 3-nonanedioylarginine ester

: 123-99-9,26776-28-3
azelaic acid

: 74-79-3,25212-18-4
L-arginine

: 1108-68-5
cinobufotalin

Guidance literature:: With hydrogenchloride; water; In 1,4-dioxane; at 80 ℃; for 4h;
DOI:10.1080/10286020.2010.505187

Reference yield:

: 470-37-1,36121-84-3,74532-04-0
cinobufagin

: 1357380-54-1
1alpha-Hydroxycinobufagin

: 1108-68-5
cinobufotalin

Guidance literature:: With glucose-6-phosphate dehydrogenase; glucose-6-phosphate; recombinant human CYP₃A₄; NADP; magnesium chloride; In acetonitrile; at 37 ℃; pH=7.4; Reagent/catalyst; Kinetics; aq. phosphate buffer; Enzymatic reaction;
DOI:10.1124/dmd.110.036830