기본 정보
- CAS
85606-97-9- 표준 SMILES
O=C1NCCNC1c1cccs1- InChIKey
BBACKDMGYMXYLE-UHFFFAOYSA-N- 분자식
- C8H10N2OS
- 평균 분자량
- 182.25 g/mol
- 단동위원소 질량
- 182.05138412
개요
Tenilsetam is an organic molecular entity.
이름 및 식별자
- 우선 이름
- Tenilsetam
- IUPAC
- 3-thiophen-2-ylpiperazin-2-one
- 영어명
- Piperazinone, 3-(2-thienyl)- (9CI)
- 분자식
- C8H10N2OS
- 분자량
- 182.24
이름 및 동의어
Tenilsetam86696-86-8TenilsetamumCAS-997O4Q7XM74N63-(2-Thienyl)piperazinoneCAS997RefChem:1878433-(thiophen-2-yl)piperazin-2-one3-thiophen-2-ylpiperazin-2-one3-(2-thienyl)piperazin-2-oneTenilsetam [INN]
이름 더 보기
3-(2-thienyl)- (9CI)Tenilsetam/PiperazinoneTenilsetam, 10 mM in DMSO3-(2-Thienyl)-2-piperazinone2-Piperazinone, 3-(2-thienyl)-Piperazinone, 3-(2-thienyl)- (9CI)Tenilsetam - PAS 997 | CAS 997 | HR 029Piperazinone, 3-(2-thienyl)- (9CI) USP/EP/BP
CAS 9973-THIOPHEN-2-YL-PIPERAZIN-2-ONE85606-97-9Tenilsetamum [Latin]UNII-O4Q7XM74N6BBACKDMGYMXYLE-UHFFFAOYSA-NDTXSID701006187MLS006010413
데이터베이스 식별자
- CAS
85606-97-9、86696-86-8- PubChem CID
- 65649
- DTXSID
DTXSID701006187- ChEMBL
CHEMBL2104853- ChEBI
CHEBI:232422- UNII
- O4Q7XM74N6
- EC Number
- 978-346-5
- Nikkaji
- J330.845F
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 69.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 186
물리화학적 성질
- 밀도
- 1.225 · 1.225
- InChI
- InChI=1S/C8H10N2OS/c11-8-7(9-3-4-10-8)6-2-1-5-12-6/h1-2,5,7,9H,3-4H2,(H,10,11)
- InChIKey
- BBACKDMGYMXYLE-UHFFFAOYSA-N
- SMILES
- N1CCNC(C2SC=CC=2)C1=O
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
응용 분야
개요Tenilsetam ((+/-)-3-(2-thienyl)-2-piperazinone; Piperazinone, 3-(2-thienyl)- (9CI)), a cognition-enhancing drug successfully used for the treatment of patients suffering from Alzheimer's disease, when included in the Maillard reaction inhibits protein crosslinking by AGEs in vitro. According to the mechanism proposed, Tenilsetam acts via covalent attachment to glycated proteins, thus blocking the reactive sites for further polymerisation reactions. A beneficial effect of Tenilsetam in Alzheimer's disease could come from the interference with AGE-derived crosslinking of amyloid plaques and a decreased inflammatory response by diminished activation of phagocytosing microglia[1].
관련 반응
8건
화합물 노트
불러오는 중…