Carboxyamidotriazole

Base Information

Chemical Name:Carboxyamidotriazole
CAS No.:99519-84-3
Molecular Formula:C17H12Cl3N5O2
Molecular Weight:424.674
Hs Code.:
European Community (EC) Number:804-580-3
NSC Number:609974
UNII:6ST3ZF52WB
DSSTox Substance ID:DTXSID40244108
Nikkaji Number:J385.691G
Wikipedia:Carboxyamidotriazole
Wikidata:Q5038072
NCI Thesaurus Code:C1141
Metabolomics Workbench ID:153032
ChEMBL ID:CHEMBL95431
Mol file:99519-84-3.mol

Synonyms:4-CAI;carboxyamido-triazole;carboxyamidotriazole;L 651582;L-651582;L651582

Suppliers and Price of Carboxyamidotriazole

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
L-651,582
10mg
$ 480.00

TRC
Carboxyamidotriazole
250mg
$ 1390.00

Tocris
L-651,582 ≥98%(HPLC)
10
$ 216.00

Tocris
L-651,582 ≥98%(HPLC)
50
$ 891.00

Sigma-Aldrich
Carboxyamidotriazole ≥98% (HPLC)
25mg
$ 384.00

Sigma-Aldrich
Carboxyamidotriazole ≥98% (HPLC)
5mg
$ 97.60

Medical Isotopes, Inc.
Carboxyamidotriazole
250 mg
$ 2400.00

ChemScene
Carboxyamidotriazole >99.0%
1mg
$ 60.00

Cayman Chemical
Carboxyamidotriazole
10mg
$ 153.00

Cayman Chemical
Carboxyamidotriazole
5mg
$ 85.00

Total 20 raw suppliers

Chemical Property of Carboxyamidotriazole

Chemical Property:

Vapor Pressure:1.22E-18mmHg at 25°C
Melting Point:200-202 °C
Refractive Index:1.73
Boiling Point:685.5 °C at 760 mmHg
PKA:14.16±0.50(Predicted)
Flash Point:368.3 °C
PSA：116.89000
Density:1.65g/cm³
LogP:4.48020
Storage Temp.:Store at +4°C
Solubility.:DMSO: soluble10mg/mL (clear solution)
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:423.005658
Heavy Atom Count:27
Complexity:549

Purity/Quality:

97% ^*data from raw suppliers

L-651,582 ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl
Recent ClinicalTrials:Carboxyamidotriazole + RT in Treating Patients Newly Diagnosed Supratentorial GBM
Uses Carboxyamidotriazole is an orally active calcium channel blocker. Carboxyamidotriazole also exhibits inhibition of pro-inflammatory cytokines in tumor associated macrophages as potential anti-cancer m echanism.

Technology Process of Carboxyamidotriazole

There total 13 articles about Carboxyamidotriazole 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: 90.0%

: 99508-26-6
(4-(azidomethyl)-2,6-dichlorophenyl)(4-chlorophenyl)methanone

: 107-91-5
cyanoacetic acid amide

: 99519-84-3
carboxyamidotriazole

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; for 2h; Ambient temperature;

Reference yield:

: propargylformamide

: 99508-26-6
(4-(azidomethyl)-2,6-dichlorophenyl)(4-chlorophenyl)methanone

: 99519-84-3
carboxyamidotriazole

Guidance literature:: With potassium carbonate; In acetonitrile; Heating;

Reference yield:

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

: 99519-84-3
carboxyamidotriazole

Guidance literature:: Multi-step reaction with 2 steps

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

2: potassium carbonate / acetonitrile / Heating

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