HuagongsheHuagongshe Chemistry Print Report · For research reference only
(S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid → (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(3-(dimethylamino)-1-methyl-1H-indazol-5-yl)-5-methylbenzo[d]thiazol-6-yl)acetic acid
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid | HCID 72196116 | — |
| Reactant | 5-bromo-N,N,1-trimethyl-1H-indazol-3-amine | HCID 86700299 | — |
| Product | (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(3-(dimethylamino)-1-methyl-1H-indazol-5-yl)-5-methylbenzo[d]thiazol-6-yl)acetic acid | HCID 86700298 | — |
Reaction Steps
Prepared in a similar manner as (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazol-5-yl)benzo[d]thiazol-6-yl)acetic acid, except using 5-bromo-N,N,1-trimethyl-1H-indazol-3-amine instead of 5-bromo-1-methyl-3-(4-methylpiperazin-1-yl)-1H-indazole. LCMS-ESI+: calc'd for C30H31ClN4O3S: 563.2, 565.2 (M+H+); Found: 563.2, 565.2 (M+H+). 1H NMR (400 MHz, CD3OD): δ 8.49 (s, 1H), 7.96 (dd, J=8.9, 1.5 Hz, 1H), 7.78 (s, 1H), 7.74-7.64 (m, 1H), 7.62-7.52 (m, 3H), 7.41 (d, J=8.9 Hz, 1H), 5.25 (s, 1H), 3.86 (s, 3H), 3.16 (s, 6H), 2.60 (s, 3H), 0.97 (s, 9H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08987250B2 |
| Source dataset | uspto-grants-2015_03 |
| ORD ID | ord-39edee37bf4d43798762af7857280118 |
| Source note | uspto-grants-2015_03 |