Beta-Alanine → 3-{[7-(3-Cyclohexyl-ureido)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid

HRID 1481156Notes

Reaction equation

HRID 1481156 reaction equation
C(O[C:4]([C:6]1[N:7]=[CH:8][C:9]2[C:14]([C:15]=1[OH:16])=[CH:13][CH:12]=[C:11]([NH:17][C:18]([NH:20][CH:21]1[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)=[O:19])[CH:10]=2)=[O:5])C.[NH2:27][CH2:28][CH2:29][C:30]([OH:32])=[O:31]>>[CH:21]1([NH:20][C:18](=[O:19])[NH:17][C:11]2[CH:10]=[C:9]3[C:14]([C:15]([OH:16])=[C:6]([C:4]([NH:27][CH2:28][CH2:29][C:30]([OH:32])=[O:31])=[O:5])[N:7]=[CH:8]3)=[CH:13][CH:12]=2)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1

Participants

3

Reactant 2

HCID 239Beta-AlanineHCID 898128727-(3-Cyclohexyl-ureido)-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester

Product 1

HCID 717369033-{[7-(3-Cyclohexyl-ureido)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid

Procedure

3-{[7-(3-Cyclohexyl-ureido)-4-hydroxy-isoquinoline-3-carbonyl]-amino}-propionic acid was prepared from 7-(3-Cyclohexyl-ureido)-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester under conditions analogous to Example 116(b) using beta-alanine. MS ESI(−) m/e: 399.1460 (M−1).

Sources & evidence

ORD record
ord-881de72699c34f929153b2de9f9cdf91
Source dataset
uspto-grants-2016_08
Patent number
US09409892B2

Reaction notes

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