홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hydrochloric Acid → (S)-2-{[2-(2-1H-Indazol-4-yl-acetylamino)-4-methyl-thiazole-5-carbonyl]-amino}-3-[(thiophene-2-carbonyl)-amino]-propionic acid

HRID 1952659
노트
인쇄 미리보기

반응식

HRID 1952659 반응식
C[O:2][C:3](=[O:36])[C@@H:4]([NH:14][C:15]([C:17]1[S:21][C:20]([NH:22][C:23](=[O:34])[CH2:24][C:25]2[CH:33]=[CH:32][CH:31]=[C:30]3[C:26]=2[CH:27]=[N:28][NH:29]3)=[N:19][C:18]=1[CH3:35])=[O:16])[CH2:5][NH:6][C:7]([C:9]1[S:10][CH:11]=[CH:12][CH:13]=1)=[O:8].O.[OH-].[Li+].C1COCC1.Cl>O>[NH:29]1[C:30]2[C:26](=[C:25]([CH2:24][C:23]([NH:22][C:20]3[S:21][C:17]([C:15]([NH:14][C@@H:4]([CH2:5][NH:6][C:7]([C:9]4[S:10][CH:11]=[CH:12][CH:13]=4)=[O:8])[C:3]([OH:36])=[O:2])=[O:16])=[C:18]([CH3:35])[N:19]=3)=[O:34])[CH:33]=[CH:32][CH:31]=2)[CH:27]=[N:28]1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 168937Lithium hydroxide, monohydrateHCID 86671255(S)-2-{[2-(2-1H-Indazol-4-yl-acetylamino)-4-methyl-thiazole-5-carbonyl]-amino}-3-[(thiophene-2-carbonyl)-amino]-propionic acid methyl ester

생성물 1

HCID 51035164(S)-2-{[2-(2-1H-Indazol-4-yl-acetylamino)-4-methyl-thiazole-5-carbonyl]-amino}-3-[(thiophene-2-carbonyl)-amino]-propionic acid
수율 63.5%

시약·촉매·용매 1

HCID 962Water용매

반응 조건

온도
25 °C

실험 절차

A mixture of the (S)-2-{[2-(2-1H-Indazol-4-yl-acetylamino)-4-methyl-thiazole-5-carbonyl]-amino}-3-[(thiophene-2-carbonyl)-amino]-propionic acid methyl ester (34 mg, 0.0646 mmol), lithium hydroxide monohydrate (32 mg, 0.763 mmol), THF (2 mL) and water (1 mL) was stirred at 25° C. for 1½ h. Aqueous 2N HCl was added and the reaction mixture was stirred for 2 hrs and then concentrated under reduced pressure. The resulting crude product was purified by HPLC to give (S)-2-{[2-(2-1H-Indazol-4-yl-acetylamino)-4-methyl-thiazole-5-carbonyl]-amino}-3-[(thiophene-2-carbonyl)-amino]-propionic acid (21 mg, 63.5%) as a white solid. MS m/e 513.5 (M+H+).

후처리

  1. stirringthe reaction mixture was stirred for 2 hrs
  2. concentrationconcentrated under reduced pressure
  3. customThe resulting crude product was purified by HPLC

출처 및 근거

ORD 기록
ord-7a1b2f81b8f34000b0ae280a801b2943
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08404859B2

반응 노트

불러오는 중…

이 페이지에서참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트