Carotegrast

• CAT Number: I005644
• CAS Number: 401904-75-4
• Molecular Formula: C27H24Cl2N4O5
• Molecular Weight: 555.41
• Purity: ≥95%
• Synonyms: Carotegrast;(S)-2-(2,6-dichlorobenzamido)-3-(4-(6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)propanoic acid
• Target: Integrin
• Solubility: Soluble in DMSO, not in water
• Storage: 0 - 4°C for short term ,or -20 °C for long term
• IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[6-(dimethylamino)-1-methyl-2,4-dioxoquinazolin-3-yl]phenyl]propanoic acid
• InChI: InChI=1S/C27H24Cl2N4O5/c1-31(2)17-11-12-22-18(14-17)25(35)33(27(38)32(22)3)16-9-7-15(8-10-16)13-21(26(36)37)30-24(34)23-19(28)5-4-6-20(23)29/h4-12,14,21H,13H2,1-3H3,(H,30,34)(H,36,37)/t21-/m0/s1
• InChIKey: YQKBOUPIOWUMTE-NRFANRHFSA-N
• SMILES: CN1C2=C(C=C(C=C2)N(C)C)C(=O)N(C1=O)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

Carotegrast(CAT: I005644) is an oral small-molecule inhibitor of α4-integrin, which plays a key role in leukocyte adhesion and migration. It is primarily investigated for its therapeutic potential in inflammatory bowel diseases (IBD) such as ulcerative colitis, where it helps to reduce inflammation by blocking the interaction between leukocytes and the vascular endothelium. Carotegrast disrupts the recruitment of immune cells to inflamed tissues, leading to reduced inflammation and improved gut health. This compound is valuable in research exploring new treatments for autoimmune diseases, offering promising avenues for improving patient outcomes in chronic inflammatory conditions.