Carotegrast methyl

Base Information

Chemical Name:Carotegrast methyl
CAS No.:401905-67-7
Molecular Formula:C₂₈H₂₆Cl₂N₄O₅
Molecular Weight:569.444
Hs Code.:
UNII:OYK17DYO9M
DSSTox Substance ID:DTXSID60193189
Nikkaji Number:J2.259.664K
Wikidata:Q27285918
Mol file:401905-67-7.mol

Synonyms:AJM300;carotegrast methyl;L-phenylalanine, N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl)-, methyl ester;methyl N-(2,6-dichlorobenzoyl)-4-(6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-L-phenylalaninate

Suppliers and Price of Carotegrast methyl

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
Carotegrastmethyl 99.72%
100mg
$ 1950.00

ChemScene
Carotegrastmethyl 99.72%
50mg
$ 1350.00

ChemScene
Carotegrastmethyl 99.72%
25mg
$ 850.00

ChemScene
Carotegrastmethyl 99.72%
10mg
$ 450.00

ChemScene
Carotegrastmethyl 99.72%
5mg
$ 250.00

Total 5 raw suppliers

Chemical Property of Carotegrast methyl

Chemical Property:

PSA：106.13000
LogP:4.15110
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:568.1280253
Heavy Atom Count:39
Complexity:918

Purity/Quality:

98%min ^*data from raw suppliers

Carotegrastmethyl 99.72% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
Isomeric SMILES:CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)C[C@@H](C(=O)OC)NC(=O)C4=C(C=CC=C4Cl)Cl
Recent ClinicalTrials:A Study to Evaluate the Safety and Efficacy of AJM300 in Participants With Active Ulcerative Colitis
Recent NIPH Clinical Trials:Phase 1 study to investigate safety, tolerability, pharmacokinetics and pharmacodynamics of single oral doses of AJM300 in healthy male subjects - randomised, double-blind, controlled trial

Technology Process of Carotegrast methyl

There total 4 articles about Carotegrast methyl 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: 86.2%

: 2-(3-{4-[2-(2,6-dichlorobenzoylamino)-2-methoxycarbonylethyl]phenyl}ureido)-5-dimethylaminobenzoic acid methyl ester

: 80-48-8
methyl p-toluene sulfonate

: 401905-67-7
carotegrast methyl

Guidance literature:: 2-(3-{4-[2-(2,6-dichlorobenzoylamino)-2-methoxycarbonylethyl]phenyl}ureido)-5-dimethylaminobenzoic acid methyl ester; With potassium carbonate; In methanol; DMF (N,N-dimethyl-formamide); at 25 ℃; for 1h;

methyl p-toluene sulfonate; In methanol; DMF (N,N-dimethyl-formamide); at 40 ℃; Product distribution / selectivity;

Reference yield: 83.0%

: 401905-67-7
carotegrast methyl

Guidance literature:: Purification / work up;

Reference yield: 82.0%

: Nα-(2,6-dichlorobenzoyl)-4-{6-dimethylamino-quinazoline-2,4[1H,3H]-dion-3-yl}-L-phenyl-alanine methyl ester

: 80-48-8
methyl p-toluene sulfonate

: 401905-67-7
carotegrast methyl

Guidance literature:: With potassium carbonate; In methanol; DMF (N,N-dimethyl-formamide); at 25 - 40 ℃; for 6h; Product distribution / selectivity;