4-Aminobutyrate ethyl hydrochloride → 4-{[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxyl}phenyl)butanoyl]amino}butanoic Acid

HRID 1370896Notes

Reaction equation

HRID 1370896 reaction equation
[CH2:1]([N:8]([CH2:21][C:22]1[CH:40]=[CH:39][C:25]([O:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][CH2:35][C:36](O)=[O:37])=[CH:29][CH:28]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH2:42][CH2:43][CH2:44][CH2:45][C:46]([O:48]CC)=[O:47]>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:40]=[CH:39][C:25]([O:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][CH2:35][C:36]([NH:42][CH2:43][CH2:44][CH2:45][C:46]([OH:48])=[O:47])=[O:37])=[CH:29][CH:28]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:17])=[O:18])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

Participants

3

Reactant 2

HCID 126496614-Aminobutyrate ethyl hydrochlorideHCID 185122134-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxy}phenyl)butanoic Acid

Product 1

HCID 185121624-{[4-(4-{4-[(benzyl{2-methyl-3-[(methylsulfonyl)amino]phenyl}amino)methyl]phenoxyl}phenyl)butanoyl]amino}butanoic Acid

Procedure

The product from Example 100 and ethyl 4-aminobutyrate hydrochloride were processed as described in Example 104B to provide the title compound. 1H NMR (300 MHz, DMSO-d6) δ8.97 (s, 1 H), 7.80 (br.s, 1 H), 7.13-7.33 (m, 8 H), 7.01 (m, 4 H), 6.88 (m, 4 H), 3.94-4.16 (m, 4 H), 3.06 (m, 4 H), 2.91 (s, 3 H), 2.39 (s, 2 H), 2.20 (m, 2 H), 2.07 (m, 2 H), 1.79 (m, 2 H), 1.61 (m, 2 H); MS (APCI) m/z 644 (M+H+).

Sources & evidence

ORD record
ord-4084f482a8b74d2b901a0f5c38ebecee
Source dataset
uspto-grants-2003_06
Patent number
US06583180B2

Reaction notes

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