기본 정보
- CAS
486424-20-8- 표준 SMILES
CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)cc2)CC1- InChIKey
FHCSBLWRGCOVPT-UHFFFAOYSA-N- 분자식
- C21H23N7O3S
- 평균 분자량
- 453.5 g/mol
- 단동위원소 질량
- 453.15830879
개요
AZD2858 is a member of the class of pyrazines that is pyrazine substituted by (pyridin-3-yl)aminocarbonyl, amino, and 4-(4-methylpiperazine-1-sulfonyl)phenyl groups at positions 2, 3 and 6, respectively. It is a potent inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.9 and 4.9 nM, respectively) and increases bone mass (via Wnt activation) in rats. It has a role as a Wnt signalling activator, an antineoplastic agent, a bone density conservation agent and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a secondary carboxamide, a member of pyridines, an aromatic amine, a sulfonamide, a member of pyrazines and a N-methylpiperazine.
이름 및 식별자
- 우선 이름
- Azd2858
- IUPAC
- 3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
- 영어명
- AZD-2858
- 분자식
- C21H23N7O3S
- 분자량
- 453.52
이름 및 동의어
AZD2858AZD-2858AZD 28583-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamideCHEBI:1676523-amino-6-(4-(4-methylpiperazin-1-yl)sulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamideRefChem:916587486424-20-83-amino-6-(4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-N-(pyridin-3-yl)pyrazine-2-carboxamide3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine-2-CarboxamideAZ2858MFCD26397072
이름 더 보기
CS-980AZD2858 ，S7253AZD-2858 USP/EP/BPAZD2858, 10 mM in DMSO3-Amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-pyrazinecarboxamide2-Pyrazinecarboxamide, 3-amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-
3-amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamideSCHEMBL3327702CHEMBL21771613-amino-6-(4-(4-methylpiperazin-1-ylsulfonyl)phenyl)-N-(pyridin-3-yl)pyrazine-2-carboxamideAC-302773-amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamidQ270747283-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide
데이터베이스 식별자
- CAS
486424-20-8- PubChem CID
- 10138980
- DTXSID
DTXSID001352331- ChEMBL
CHEMBL2177161- ChEBI
CHEBI:167652
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 730
물리화학적 성질
- 밀도
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- 저장 조건
- -20 ° · Store at -20° C
- 용해도
- 8 · DMSO:8.0(Max Conc. mg/mL);17.64(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 7.17 · 7.17±0.70(Predicted)
- 색상
- Green to khaki
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
화학 및 산업
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