Products 305335-31-3

CAS 305335-31-3 appears in our catalog under these names: MLN-4760/ 99.05% (existing batch purity), MLN–4760, MLN-4760, MLN-4760 99%, ((S)-1-Carboxy-2-(1-(3,5-dichlorobenzyl)-1H-imidazol-5-yl)ethyl)-L-leucine, 99%, 99%. Offered by: TargetMol, GLPBio, Biosynth, Ambeed, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 0,5g, 50 mg.

Structural formula: {0} (CAS {1})

MLN-4760 is a L-histidine derivative that is L-histidine in which a hydrogen of the primary amino group is substituted by a (1S)-1-carboxy-3-methylbutyl group and the ring NH group is substituted by a 3,5-dichlorobenzyl group. It is a potent and selective human angiotensin-converting enzyme 2 (ACE2) inhibitor (IC50 = 0.44 nM) which was in clinical development for the treatment of ulcerative colitis. It has a role as an EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor and an anti-inflammatory agent. It is a dichlorobenzene, a L-leucine derivative and a L-histidine derivative.

Source: ChEBI

Identity
Molecular formulaC19H23Cl2N3O4
Molecular weight428.3 g/mol
IUPAC name(2S)-2-[[(1S)-1-carboxy-2-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]ethyl]amino]-4-methylpentanoic acid
InChIKeyNTCCRGGIJNDEAB-IRXDYDNUSA-N
SMILESCC(C)C[C@@H](C(=O)O)N[C@@H](CC1=CN=CN1CC2=CC(=CC(=C2)Cl)Cl)C(=O)O

Computed by PubChem (NCBI)