기본 정보
- CAS
1428652-17-8- 표준 SMILES
CCC(=O)N[C@@H]1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21- InChIKey
VDEUDSRUMNAXJG-LJQANCHMSA-N- 분자식
- C22H25N3O2
- 평균 분자량
- 363.5 g/mol
- 단동위원소 질량
- 363.19467705
개요
Baxdrostat is under investigation in clinical trial NCT06344104 (A Phase III Study to Investigate the Efficacy and Safety of Baxdrostat in Asian Participants With Uncontrolled Hypertension on Two or More Medications Including Participants With Resistant Hypertension).
이름 및 식별자
- 우선 이름
- Baxdrostat
- IUPAC
- N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
- 영어명
- Baxdrostat
- 분자식
- C22H25N3O2
- 분자량
- 363.45
이름 및 동의어
BaxdrostatBaxdrostat [INN]CIN-107NF3P9Z8J5YRO6836191(+)-(R)-N-(4-(1-Methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamideCIN107N-[(8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamideN-((8R)-5,6,7,8-Tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)propanamidePropanamide, N-((8R)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl)-Propanamide, N-[(8R)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl]-N-((8R)-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide
이름 더 보기
RG-7641Baxdrostat (CIN-107)Baxdrostat, 10 mM in DMSOBaxdrostat,1428652-17-8,Pharmaceutical Chemicals
RefChem:116708894-447-61428652-17-8BaxfendyUNII-NF3P9Z8J5YRO-6836191(R)-N-(4-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamideBaxdrostat?
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 62.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 566
실험 및 물리화학적 성질
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antihypertensive Agents
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 끓는 점
- 697.6 · 697.6±55.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 용해도
- 250 mg/mL · DMSO : 250 mg/mL (687.85 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 15.05 · 15.05±0.20(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
- InChI
- InChI=1S/C22H25N3O2/c1-3-21(26)24-19-6-4-5-16-17(12-23-13-18(16)19)14-7-9-20-15(11-14)8-10-22(27)25(20)2/h7,9,11-13,19H,3-6,8,10H2,1-2H3,(H,24,26)/t19-/m1/s1
- InChIKey
- VDEUDSRUMNAXJG-LJQANCHMSA-N
- SMILES
- C(N[C@H]1C2=C(CCC1)C(C1C=CC3=C(C=1)CCC(=O)N3C)=CN=C2)(=O)CC
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P280, P301+P317, P318, P319, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
응용 분야
용도Baxdrostat is a novel aldosterone synthase Inhibitor for treatment resistant hypertension and systemic Hypertension.
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