기본 정보
- CAS
118290-26-9- 표준 SMILES
CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21- InChIKey
MZDYABXXPZNUCT-UHFFFAOYSA-N- 분자식
- C27H38N6O2
- 평균 분자량
- 478.6 g/mol
개요
N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide is a benzodiazepine.
이름 및 식별자
- 우선 이름
- AF-DX-384
- IUPAC
- N-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
- 영어명
- N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
- 분자식
- C27H38N6O2
- 분자량
- 478.63
이름 및 동의어
AF-DX 384118290-26-9AF-DX-384KFR8EX22KXCHEBI:73338RefChem:1076207N-(2-((2H)-2-((dipropylamino)methyl)piperidin-1-yl)ethyl)-6-oxo-5,6-dihydro-11H-pyrido(2,3-b)(1,4)benzodiazepine-11-carboxamideAFDX384N-[2-[2-[(Dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamideN-(2-(2-((Dipropylamino)methyl)piperidin-1-yl)ethyl)-6-oxo-5H-benzo[e]pyrido[3,2-b][1,4]diazepine-11(6H)-carboxamideN-[2-[2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamideAF-DX 384 Free Base
이름 더 보기
AF-DX38411H-Pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide, N-[2-[2-[(dipropylamino)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-6-oxo-
AF-DX 384 methanesulfonateCHEMBL279453[3H]AF-DX 384MZDYABXXPZNUCT-UHFFFAOYSA-N[3H]AF DX-384GTPL368GTPL3264orb1704702
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 80.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 685
물리화학적 성질
- 끓는 점
- 618.4 · 618.4±55.0 °C(Predicted)
- 밀도
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 10 mg/mL, · DMSO: 용해성10mg/mL, 투명(가온)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 11.55 · 11.55±0.20(Predicted)
- 색상
- 흰색에서 베이지색
- InChIKey
- MZDYABXXPZNUCT-UHFFFAOYSA-N
- SMILES
- N4(C(CCCC4)CN(CCC)CCC)CCNC(=O)[n]1c2ncccc2[nH][c](c3c1cccc3)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요AF-DX 384 is an antagonist of M2 and M4 muscarinic acetylcholine receptors (Kis = 6.03 and 10 nM, respectively). It is selective for M2 and M4 over M1, M3, and M5 receptors (Kis = 30.9, 66.07, and 537.03 nM, respectively). AF-DX 384 increases acetylcholine release in the hippocampus and cortex of young and aged rats in vivo when infused locally at a concentration of 1 μM and in the cortex when administered intraperitoneally at a dose of 5 mg/kg. It reverses deficits in novel object recognition and passive avoidance in aged rats, as well as in young rats with impairments induced by scopolamine .
공급사13 곳
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences[email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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