기본 정보
- CAS
84088-42-6- 표준 SMILES
CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1- InChIKey
SGOOQMRIPALTEL-UHFFFAOYSA-N- 분자식
- C18H16N2O3
- 평균 분자량
- 308.3 g/mol
- 단동위원소 질량
- 308.11609238
개요
4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-3-quinolinecarboxamide is an aromatic amide.
이름 및 식별자
- 우선 이름
- Roquinimex
- IUPAC
- 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
- 현지명
- 로퀴니멕스
- 영어명
- Roquinimex
- 분자식
- C18H16N2O3
- 분자량
- 308.33
이름 및 동의어
ROQUINIMEXLinomide84088-42-6LS-26164-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamideFCF 89LS 2616RoquinimexumFCF-89DTXSID40456801,2-Dihydro-4-hydroxy-N,1-dimethyl-2-oxo-3-quinolinecarboxanilide372T2944C0
이름 더 보기
로퀴니멕스FCF89CS-1231ABR212616PNU 212616Roquinimex(Linomide)Roquinimex, 10 mM in DMSON,1-Dimethyl-N-phenyl-2-oxo-4-hydroxy-1,2-dihydroquinoline-3-carboxamide
DTXCID20256803-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl1,2-dihydro-4-hydroxy-n,1-dimethyl-2-oxo-n-phenyl-3-quinolinecarboxamideRefChem:8836963-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N,1-dimethyl-2-oxo-N-phenyl-N-phenylmethyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamideL03AX02N-phenyl-N-methyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
데이터베이스 식별자
- CAS
84088-42-6- PubChem CID
- 54676478
- DTXSID
DTXSID4045680- ChEMBL
CHEMBL11672- ChEBI
CHEBI:92056- UNII
- 372T2944C0
- EC Number
- 635-913-9
- Nikkaji
- J22.908C
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 60.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 522
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 200 · 200-204°
- 끓는 점
- 436.2 · 436.2±45.0 °C(Predicted)
- 밀도
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 11 mg/mL · DMSO: 11mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
- 색상
- White to off-white
- Merck
- 14 · 14,8259
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (98.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (98.5%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 2933.49.2600
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36/37
화학 및 산업
약리 정보
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
Metabolism/Metabolites
Linomide has known human metabolites that include 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide, 4,6-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide, 4-hydroxy-N-(4-hydroxyphenyl)-N,1-dimethyl-2-oxo-1,2-dihydroquinoline-3-carboxamide, 4,8-dihydroxy-N,1-dimethyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide, 4-hydroxy-1-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide, and 4-hydroxy-N-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide.
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Agents and endogenous substances that antagonize or inhibit the development of new blood vessels.
응용 분야
개요Roquinimex is an immunomodulator with diverse biological activities. In vivo, roquinimex (80 mg/kg) increases the number of myocardial MHC class II-expressing cells, the ratio of cytotoxic to helper T cells, and survival and decreases necrotic lesion area in a mouse model of murine coxsackievirus B3-induced myocarditis. It induces IFN-γ production, reduces TNF-α and IL-1β production, prevents the development of proteinuria, and ameliorates nephritis in a mouse model of chronic graft versus host disease (GVHD). Roquinimex (300 mg/kg) decreases colonic myeloperoxidase (MPO) activity and mucosal damage in a mouse model of colitis induced by dextran sulfate (DSS; ). It also decreases tumor weight and tumor blood flow in a von Hippel-Lindau (VHL) type 2a paraganglioma mouse xenograft model.
용도Biological response modifier; immunomodulator.
상·하류 제품 정보
상류 원료
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
1건
화합물 노트
불러오는 중…