11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one

HCID 107867

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102394-31-0
표준 SMILES: CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIKey: UBRKDAVQCKZSPO-UHFFFAOYSA-N
분자식: C24H31N5O2
평균 분자량: 421.5 g/mol
단동위원소 질량: 421.24777525

이름 및 식별자

우선 이름: 11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
IUPAC: 11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
영어명: 11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE
분자식: C24H31N5O2
분자량: 421.54

이름 및 동의어

Otenzepad102394-31-0AF-DX-116OM7J0XAL0S11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one6H-Pyrido(2,3-b)(1,4)benzodiazepin-6-one, 11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneotenzepadum11-(2-(2-(diethylaminomethyl)piperidin-1-yl)acetyl)-5H-pyrido(2,3-b)(1,4)benzodiazepin-6-oneRefChem:85699011-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1-4)benzodiazepine-6-oneAF-DX 116

이름 더 보기

Brn 4212983Otenzepad, 10 mM in DMSOethyl)-7-piperidinyl)acetyl)-AF-DX 116 (Otenzepad), M2 antagonistMuscarinic acetylcholine receptor,Otenzepad,Inhibitor,mAChR,inhibit,memory6h-pyrido(2,3-b)(1,4)benzodiazepin-6-one,5,11-dihydro-11-((2-((diethylamino)m11-(2-(2-((Diethylamino)methyl)piperidin-1-yl)acetyl)-5H-benzo[e]pyrido[3,2-b][1,4]diazepin-6(11H)-one6H-Pyrido(2,3-B)(1,4)benzodiazepin-6-one, 5,11-dihydro-11-((2-((diethylamino)methyl)-7-piperidinyl)acetyl)-

Otenzepad, (+)-100158-38-1Otenzepad [INN]afdx-116DTXSID0045674AF-DX-250Otenzepad, (-)-11-[[2-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]ACETYL]-5,11-DIHYDRO-6H-PYRIDO[2,3-B][1,4]BENZODIAZEPIN-6-ONE

데이터베이스 식별자

CAS: 102394-31-0、121029-35-4、122467-13-4
PubChem CID: 107867
DTXSID: DTXSID0045674
ChEMBL: CHEMBL17045
ChEBI: CHEBI:111174
UNII: OM7J0XAL0S、SX2WTG9R3Z、WW6A9TFL2C
EC Number: 692-520-5
Nikkaji: J20.577J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 68.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 31
형식 전하: 0
복잡도: 625

물리화학적 성질

끓는 점: 573.2 · 573.2±45.0 °C(Predicted)
밀도: 1.171 · 1.171
저장 조건: room temp
용해도: 5 mg/mL · DMSO: 가용성 5mg/mL(투명 용액, 가열)
물리적 상태: 가루
산도 계수 (pKa): 11.29 · 11.29±0.20(Predicted)
색상: 흰색에서 베이지색
InChIKey: UBRKDAVQCKZSPO-UHFFFAOYSA-N
SMILES: CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24

안전 및 규제

안전 데이터

wgk: 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도AF-DX 116 has been used as an M2 muscarinic acetylcholine receptor (M2AChR) selective antagonist to study the influence of M2AChR in the regulation of both basal and carbachol-stimulated long-term potentiation at the dentate gyrus (DG-LTP) and pro-nerve growth factor (proNGF) secretion in hippocampal cells of young diabetic rats.