Valategrast

Base Information

Chemical Name:Valategrast
CAS No.:220847-86-9
Molecular Formula:C₃₀H₃₂Cl₃N₃O₄
Molecular Weight:604.961
Hs Code.:
UNII:06DM4KX7JG
ChEMBL ID:CHEMBL2107792
NCI Thesaurus Code:C152814
Nikkaji Number:J2.553.146I
Wikidata:Q27236196
Mol file:220847-86-9.mol

Synonyms:Valategrast;220847-86-9;Valategrast (R411);Valategrast [INN];R411 FREE BASE;06DM4KX7JG;R-411 FREE BASE;RO-0272441;2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate;RO0272441;R-411 (free base);UNII-06DM4KX7JG;SCHEMBL480224;CHEMBL2107792;GTPL11487;AKOS040740512;HY-14190;MS-30664;CS-0002910;Q27236196;2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2, 6-dichlorobenzoyl)amino]phenyl]propanoate;2-(DIETHYLAMINO)ETHYL N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-L-PHENYLALANINATE;2-(Diethylamino)ethyl N-(2-chloro-6-methylbenzoyl)-4-(2,6-dichlorobenzamido)-L-phenylalaninate;L-PHENYLALANINE,N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-,2-(DIETHYLAMINO)ETHYL ESTER

Suppliers and Price of Valategrast

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

American Custom Chemicals Corporation
R-411 95.00%
5MG
$ 498.97

Total 4 raw suppliers

Chemical Property of Valategrast

Chemical Property:

PSA：91.23000
LogP:7.08140
XLogP3:7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:603.145840
Heavy Atom Count:40
Complexity:812

Purity/Quality:

97% ^*data from raw suppliers

R-411 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)CCOC(=O)C(CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C
Isomeric SMILES:CCN(CC)CCOC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C
Uses Treatment of asthma (dual α4β1/α4β7 integrin antagonist).

Technology Process of Valategrast

There total 1 articles about Valategrast 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:

: 869-24-9
2-chloro-N,N-diethylethylamine hydrochloride

: 220846-33-3
Ro 0270608

: 220847-86-9
Valategrast

Guidance literature:: 2-chloro-N,N-diethylethylamine hydrochloride; Ro 0270608; With sodium carbonate; In N,N-dimethyl-formamide; at 45 ℃;

With ammonium chloride; In Isopropyl acetate; N,N-dimethyl-formamide;