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기본 정보
- CAS
1431866-33-9- 표준 SMILES
NCc1ccc(OCCCc2sc(-c3ccc4c(c3)/C(=N/Nc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1- InChIKey
JKMWZKPAXZBYEH-JWHWKPFMSA-N- 분자식
- C31H29N5O3S2
- 평균 분자량
- 583.739 g/mol
- 단동위원소 질량
- 583.17118179
이름 및 식별자
- 우선 이름
- 5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
- IUPAC
- 5-{3-[4-(Aminomethyl)phenoxy]propyl}-2-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}-1,3-thiazole-4-carboxylic acid
- 영어명
- WEHI-539
- 분자식
- C31H29N5O3S2
- 분자량
- 583.73
이름 및 동의어
CS-1739WEHI-539WEHI539WEHI 539WEHI-539 ( CT-WE539)(E)-5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetr5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]-4-thiazolecarboxylic acid4-Thiazolecarboxylic acid, 5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[8-[2-(2-benzothiazolyl)hydrazinylidene]-5,6,7,8-tetrahydro-2-naphthalenyl]-(E)-5-(3-(4-(aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[8-[2-(benzo[d]thiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydro-naphthalen-2-yl]-4-thiazolecarboxylic acid
데이터베이스 식별자
- CAS
1431866-33-9- PubChem CID
- 71297207
물성
물리화학적 성질
- 끓는 점
- 827.6 · 827.6±75.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 2 O; · insoluble in DMSO; insoluble in H2O; insoluble in EtOH
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.24 · 10.24±0.20(Predicted)
- 색상
- Light yellow to brown
화학 및 산업
응용 분야
용도WEHI 539 is a selective BCL-XL inhibitor.
공급사38 곳
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