CAS 428854-24-4 2-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine (HCID 11393973)

기본 정보

CAS: 428854-24-4
표준 SMILES: Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N
InChIKey: RCKYXYXLIJBCOE-UHFFFAOYSA-N
분자식: C17H15FN8
평균 분자량: 350.4 g/mol
단동위원소 질량: 350.14037067

이름 및 식별자

우선 이름: 2-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine
IUPAC: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
영어명: 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyriMidine-4,5,6-triaMine
분자식: C17H15FN8
분자량: 350.35

이름 및 동의어

428854-24-4MSX347Z9522-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine2-[1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-4,5,6-pyrimidinetriamineRefChem:10606272-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidine-4,5,6-triamine2-{1-[(2-fluorophenyl)methyl]-1h-pyrazolo[3,4-b]pyridin-3-yl}pyrimidine-4,5,6-triamineMFCD227415442-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamineN-Desmethyl-N-desmethylcarbamoly Riociguat2-(1-[(2-Fluorophenyl)methyl]-1H-pyrazolo[3,4-B]pyridin-3-yl)pyrimidine-4,5,6-triamine

이름 더 보기

Riociguat Impurity 302-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimid...2{1[(2fluorophenyl)Methyl]1Hpyrazolo[3,4 b]pyridin3yl}pyriMidine4,5,6triaMine2-(1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]Pyridine-3-yl)pyrimidine-4,5,6-triamine

4,5,6-Pyrimidinetriamine, 2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-C17H15FN8RCKYXYXLIJBCOE-UHFFFAOYSA-N2-{1-[(2-FLUOROPHENYL)METHYL]PYRAZOLO[3,4-B]PYRIDIN-3-YL}PYRIMIDINE-4,5,6-TRIAMINERiociguat Impurity Sriociguat IntermediatesRiociguat Triamino ImpuritySCHEMBL174847

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 135 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 3
무거운 원자 수: 26
형식 전하: 0
복잡도: 470

물리화학적 성질

녹는점: 212 °C · >212°C (dec.)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도: DMSO (약간 용해됨)
물리적 상태: 고체
색상: 진한 노란색

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine is a metabolite of stimulators of soluble guanylate cyclase for the treatment of pulmonary hypertension.

상·하류 제품 정보

상류 원료

4,6-Pyrimidinediamine, 2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(1E)-2-phenyldiazenyl]-4,6-PyriMidinediaMine, 2-[1-[(2-fluorophenyl)Methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-(phenylazo)-하이드라진, 모노수화물 염화제2철6수화물 N,N-다이메틸폼아마이드

공급사97 곳

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화합물 노트

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2-(1-((2-Fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4,5,6-pyrimidinetriamine