Sgx-523
기본 정보
- CAS
1022150-57-7- 표준 SMILES
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1- InChIKey
BCZUAADEACICHN-UHFFFAOYSA-N- 분자식
- C18H13N7S
- 평균 분자량
- 359.4 g/mol
- 단동위원소 질량
- 359.09531442
개요
SGX-523 is a member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group. It has a role as a nephrotoxic agent and a c-Met tyrosine kinase inhibitor. It is a member of pyrazoles, a member of quinolines, an aryl sulfide, a triazolopyridazine and a biaryl.
이름 및 식별자
- 우선 이름
- Sgx-523
- IUPAC
- 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline
- 영어명
- SGX-523
- 분자식
- C18H13N7S
- 분자량
- 359.41
이름 및 동의어
SGX-5231022150-57-7SGX523WH8SQN09KJ6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinolineCHEBI:90624Quinoline, 6-((6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)thio)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline6-((6-(1-methyl-1H-pyrazol-4-yl)(1,2,4)triazolo(4,3-b)pyridazin-3-yl)sulfanyl)quinoline6-((6-(1-methylpyrazol-4-yl)-(1,2,4)triazolo(5,4-f)pyridazin-3-yl)sulfanyl)quinolineQuinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-
이름 더 보기
X-523CS-331α-NeurokininSGX-523, >=98%SGX 523(SGX-523)SGX-523 USP/EP/BPSGX-523, 10 mM in DMSOMet Kinase Inhibitor VI, SGX523
6-((6-(1-methyl-1H-pyrazol-4-yl)-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)sulfanyl)quinolineRefChem:884969MET TYROSINE KINASE INHIBITOR SGX523SGX 5236-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylthio)quinoline6-((6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)quinoline6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolineMFCD16660190
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 494
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.485 · 1.485
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 17.95 mg/mL · ≥17.95 mg/mL in DMSO
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.94 · 3.94±0.10(Predicted)
- 색상
- Light yellow to yellow
- InChI
- InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
- InChIKey
- BCZUAADEACICHN-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(SC3N4C(=NN=3)C=CC(C3=CN(C)N=C3)=N4)=CC=2)C=CC=1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Mechanism of Action
SGX523 is selective inhibitor of the receptor tyrosine kinase MET. MET is implicated in development and progression of cancer. SGX523 ihibits MET autophosphorylation and signalling, as well as activates cysteine-aspartic acid protease 3 (caspase 3), an enzyme which is part of the apoptosis signalling cascade.
응용 분야
용도SGX523 is a novel, ATP-competitive kinase inhibitor.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group.
관련 반응
3건
화합물 노트
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