HuagongsheHuagongshe Chemistry Print Report · For research reference only
beta-Alanine, ethyl ester, hydrochloride → N-[5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)pentanoyl]-beta-alanine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | beta-Alanine, ethyl ester, hydrochloride | HCID 458475 | — |
| Reactant | 5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)pentanoic Acid | HCID 18512225 | — |
| Product | N-[5-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenoxy)pentanoyl]-beta-alanine | HCID 18512177 | — |
Reaction Steps
The product from Example 234B and beta-alanine ethyl ester hydrochloride were processed as described in Example 251A and B to provide the titled compound. 1H NMR (500 MHz, DMSO-d6) δ11.84-12.51 (br.s, 1 H), 8.94 (s, 1 H), 7.85 (t, 1 H), 7.22 (m, 7 H), 7.03 (t, J=7.8 Hz, 1 H), 6.94 (m, 6 H), 6.82 (d, 2 H), 4.04 (s, 2 H), 4.00 (s, 2 H), 3.92 (t, 2 H), 3.23 (dd, 2 H), 2.91 (s, 3 H), 2.39 (s, 3 H), 2.36 (t, 2 H), 2.11 (t, 2 H), 1.64 (m, 4 H); MS (ESI+) m/z 660 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US06583180B2 |
| Source dataset | uspto-grants-2003_06 |
| ORD ID | ord-19d14b479b9f4acf9537be7692830df8 |
| Source note | uspto-grants-2003_06 |