E-2012

HCID 11560787
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기본 정보

CAS
870843-42-8
표준 SMILES
COc1cc(/C=C2\CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1
InChIKey
PUOAETJYKQITMO-LANLRWRYSA-N
분자식
C25H26FN3O2
평균 분자량
419.5 g/mol
단동위원소 질량
419.20090529

개요

E-2012 is a gamma secretase modulator that is being evaluated as a potential new treatment for Alzheimer's disease.

이름 및 식별자

우선 이름
E-2012
IUPAC
(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
영어명
(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one
분자식
C25H26FN3O2
분자량
419.49

이름 및 동의어

870843-42-8E 2012E-2012E20123LSD4Y5F0FDTXSID30468614(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one(3E)-1-((1S)-1-(4-Fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one2-Piperidinone, 1-((1S)-1-(4-fluorophenyl)ethyl)-3-((3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)methylene)-, (3E)-E2012 cpd(3E)-1-((1S)-1-(4-fluorophenyl)ethyl)-3-((3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)methylidene)piperidin-2-one(3E)-1-((1S)-1-(4-fluorophenyl)ethyl)-3-((3-methoxy-4-(4-methylimidazol-1-yl)phenyl)methylidene)piperidin-2-one
이름 더 보기
CS-510E 2012, 10 mM in DMSOE 2012,E-2012,γ-secretase,inhibit,Inhibitor,E2012,Gamma secretase1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-Methoxy-4-(4-Methyl-1H-iMidazol-1-yl)phenyl]Methylene]-(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]pip(E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperi
(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one(3E)-1-[(1S)-1-(4-Fluorophenyl)ethyl]-3-{[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylidene}piperidin-2-oneRefChem:920778DTXCID20419433(E)-1-[(1S)-1-(4-FLUOROPHENYL)ETHYL]-3-[3-METHOXY-4-(4-METHYL-1H-IMIDAZOL-1-YL)BENZYLIDENE]PIPERIDIN-2-ONE(S,E)-1-(1-(4-fluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-oneCHEMBL1224151C25H26FN3O2

데이터베이스 식별자

CAS
870843-42-8
PubChem CID
11560787
DTXSID
DTXSID30468614
ChEMBL
CHEMBL1224151
UNII
3LSD4Y5F0F

물성

구조 계산 물성

XLogP
4.3
극성 표면적
47.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
31

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점
649.2 · 649.2±55.0 °C(Predicted)
밀도
1.19 · 1.19±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Store at -20°C
용해도
10 mg/mL; · DMF: 10mg/mL; DMSO: 10mg/mL; DMSO:PBS (pH 7.2) (1:3): 0.25mg/mL; Ethanol: 10mg/mL
산도 계수 (pKa)
5.67 · 5.67±0.61(Predicted)
물리적 상태
가루

안전 및 규제

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

Mechanism of Action · 1건

Gamma secretase plays a role in the production of beta-amyloid, a major component of plaque in the brain, which is thought to be a cause of Alzheimer's disease. E2012 is a new chemical entity discovered by Eisai and, in preclinical (laboratory) research, has shown some potential to reduce the production of beta-amyloid by modulating the function of gamma secretase.

MeSH Pharmacological Classification · 1건

Agents that suppress GAMMA-SECRETASE by inhibiting or modulating its activities. Targeted enzymatic activities include its involvement in accumulation of toxic AMYLOID BETA-PEPTIDES (e.g., Aβ42) in ALZHEIMER DISEASE and activation of NOTCH RECEPTOR mediated SIGNAL PATHWAYS in certain cancer types.

상·하류 제품 정보

공급사55 곳

广州诚创生物科技有限公司18027266590 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

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