Carboxyamidotriazole orotate

Base Information

Chemical Name:Carboxyamidotriazole orotate
CAS No.:187739-60-2
Molecular Formula:C17H12Cl3N5O2.C5H4N2O4
Molecular Weight:580.76474
Hs Code.:
UNII:776C212QQH
NCI Thesaurus Code:C91090
Mol file:187739-60-2.mol

Synonyms:Carboxyamidotriazole orotate;187739-60-2;Carboxyamidotriazole (Orotate);776C212QQH;5-amino-1-[[3,5-dichloro-4-(4-chlorobenzoyl)phenyl]methyl]triazole-4-carboxamide;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;5-Amino-1-(3,5-dichloro-4-(4-chlorobenzoyl)benzyl)-1H-1,2,3-triazole-4-carboxamide 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate;CTO;L-651582 Orotate;CAI Orotate;UNII-776C212QQH;SCHEMBL7924972;CAI OrotateL-651582 Orotate;Carboxyamidotriazole orotate CTO.;EX-A5646;AKOS040741506;HY-16125;MS-30422;CS-0006151

Suppliers and Price of Carboxyamidotriazole orotate

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

ChemScene
Carboxyamidotriazole(Orotate) 99.89%
100mg
$ 1200.00

ChemScene
Carboxyamidotriazole(Orotate) 99.89%
50mg
$ 850.00

ChemScene
Carboxyamidotriazole(Orotate) 99.89%
25mg
$ 550.00

ChemScene
Carboxyamidotriazole(Orotate) 99.89%
10mg
$ 300.00

ChemScene
Carboxyamidotriazole(Orotate) 99.89%
5mg
$ 200.00

Total 8 raw suppliers

Chemical Property of Carboxyamidotriazole orotate

Chemical Property:

Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:579.022764
Heavy Atom Count:38
Complexity:816

Purity/Quality:

97% ^*data from raw suppliers

Carboxyamidotriazole(Orotate) 99.89% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl.C1=C(NC(=O)NC1=O)C(=O)O
Recent ClinicalTrials:Safety and Tolerability of Carboxyamidotriazole Orotate (CTO) in Solid Tumors or With Temodar? in Glioblastoma or Other Recurrent Malignant Gliomas or in Combination With Temodar? and Radiation Therapy for Patients With Newly Diagnosed Glioblastoma and Malignant Gliomas

Technology Process of Carboxyamidotriazole orotate

There total 6 articles about Carboxyamidotriazole orotate 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:

: 65-86-1,58915-47-2,6784-70-9
orotic acid

: 99519-84-3
carboxyamidotriazole

: 187739-60-2
5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4 carboxamide orotate

Guidance literature:: In N,N-dimethyl acetamide; for 0.25h; Heating / reflux;

Reference yield:

: 99508-25-5
(4-chlorophenyl)(2,6-dichloro-4-(hydroxymethyl)phenyl)methanone

: 187739-60-2
5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4 carboxamide orotate

Guidance literature:: Multi-step reaction with 3 steps

1: diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / Cooling

2: potassium carbonate / acetonitrile / Heating

3: water; methanol

With diphenyl phosphoryl azide; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; water; toluene; acetonitrile;

Reference yield:

: 60211-57-6
3,5-dichlorobenzyl alcohol

: 187739-60-2
5-amino-1-(4-[4-chlorobenzoyl]-3,5-dichlorobenzyl)-1,2,3-triazole-4 carboxamide orotate

Guidance literature:: Multi-step reaction with 5 steps

1: dmap; 1H-imidazole / Cooling

2: n-butyllithium / hexane; tetrahydrofuran / Cooling

3: diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / Cooling

4: potassium carbonate / acetonitrile / Heating

5: water; methanol

With 1H-imidazole; dmap; n-butyllithium; diphenyl phosphoryl azide; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; methanol; hexane; water; toluene; acetonitrile;