N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
기본 정보
- CAS
1357171-62-0- 표준 SMILES
c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1- InChIKey
QNRODODTMXCRKU-UHFFFAOYSA-N- 분자식
- C27H21N5
- 평균 분자량
- 415.5 g/mol
개요
ML228 is a member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. It has a role as a hypoxia-inducible factor pathway activator. It is a member of biphenyls, a member of pyridines, a member of 1,2,4-triazines and a secondary amino compound.
이름 및 식별자
- 우선 이름
- N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine
- IUPAC
- 6-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amine
- 영어명
- ML-228
- 분자식
- C27H21N5
- 분자량
- 415.49
이름 및 동의어
1357171-62-0ML228ML-228ML 228N-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amineMFCD267925706-phenyl-N-[(4-phenylphenyl)methyl]-3-pyridin-2-yl-1,2,4-triazin-5-amineCHEMBL21449586-phenyl-N-[(4-phenylphenyl)methyl]-3-(2-pyridinyl)-1,2,4-triazin-5-amineN-([1,1'-Biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amineC27H21N5ML228 probe
이름 더 보기
L-228CID-46742353CID-46742353ML228, 10 mM in DMSON-([1,1'Biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amineN-([1,1-Biphenyl]-4-ylmethyl)-6-phenyl-3-(pyridin-2-yl)-1,2,4-triazin-5-amine1,2,4-Triazin-5-amine, N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-
MLS003431857orb1685433SCHEMBL19911080SCHEMBL29546979CHEBI:92777GLXC-02725EX-A7275LSM-2978
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 끓는 점
- 686 · 686.0±65.0 °C(Predicted)
- 밀도
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C, · -20°C, Inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.03 · 2.03±0.63(Predicted)
- 색상
- 연한 노란색에서 밝은 노란색까지
관련 반응
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