Cerlapirdine
기본 정보
- CAS
925448-93-7- 표준 SMILES
CN(C)CCCOc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1- InChIKey
NXQGEDVQXVTCDA-UHFFFAOYSA-N- 분자식
- C22H23N3O3S
- 평균 분자량
- 409.5 g/mol
- 단동위원소 질량
- 409.14601278
개요
Cerlapirdine has been investigated for the treatment of Alzheimer Disease.
이름 및 식별자
- 우선 이름
- Cerlapirdine
- IUPAC
- N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amine
- 영어명
- SAM-531
- 분자식
- C22H23N3O3S
- 분자량
- 409.5
이름 및 동의어
Cerlapirdine925448-93-7SAM-531WAY-262531N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]propan-1-amineCerlapirdinaPF-05212365SAM-531 FREE BASEEK40PJ0V49WAY-262,531DTXSID201137232N,N-Dimethyl-3-[[3-(1-naphthalenylsulfonyl)-1H-indazol-5-yl]oxy]-1-propanamine
이름 더 보기
WAY-262PF05212365P -05212365Cerlapirdine, 10 mM in DMSO1-Propanamine, N,N-dimethyl-3-[[3-(1-naphthalenylsulfonyl)-1H-indazol-5-yl]oxy]-
cerlapirdinumN,N-Dimethyl-3-((3-(1-naphthalenylsulfonyl)-1H-indazol-5-yl)oxy)-1-propanamineN,N-dimethyl-3-((3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy)propan-1-amineRefChem:575216DTXCID901568866dimethyl(3-((3-(naphthalene-1-sulfonyl)-1H-indazol-5-yl)oxy)propyl)amineCerlapirdine [USAN]Cerlapirdine (USAN)
데이터베이스 식별자
- CAS
925448-93-7- PubChem CID
- 16071605
- DTXSID
DTXSID201137232- ChEMBL
CHEMBL2103880- UNII
- EK40PJ0V49
- Nikkaji
- J2.846.986A
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 83.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 636
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 662.9 · 662.9±45.0 °C(Predicted)
- 밀도
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, protect from light
- 용해도
- 41.67 mg/mL · DMSO : 41.67 mg/mL (101.76 mM; ultrasonic and warming and adjust pH to 3 with HCl and heat to 60°C)
- 산도 계수 (pKa)
- 9.7 · 9.70±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to yellow
화학 및 산업
응용 분야
용도Cerlapirdine is a selective and potent full antagonist of the 5-hydroxytryptamine 6 (5-HT6) receptor (1). Used in the symptomatic treatment of Alzheimer’s disease.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…