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개정5901

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol

HCID 5059
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
101910-24-1
표준 SMILES
CCCCCC(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIKey
JRLOEMCOOZSCQP-UHFFFAOYSA-N
분자식
C22H25NO2
평균 분자량
335.4 g/mol
단동위원소 질량
335.18852904

개요

1-[3-(2-quinolinylmethoxy)phenyl]-1-hexanol is a member of quinolines.

이름 및 식별자

우선 이름
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
IUPAC
1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
현지명
개정5901
영어명
REV 5901
분자식
C22H25NO2
분자량
335.44

이름 및 동의어

101910-24-1REV-5901alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanolPF-5901RG-5901WNW5RYD8MGBenzenemethanol, alpha-pentyl-3-(2-quinolinylmethoxy)-RefChem:555905Rev 59011-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-olCHEMBL8747MLS000069771
이름 더 보기
개정5901RG-5901AREV-ERBα Antagonist, SR82782-[3-(1-Hydroxyhexyl)phenoxymethyl]quinolineα-pentyl-3-[2-quinolinylmethoxy]benzyl alcoholBenzenemethanol,a-pentyl-3-(2-quinolinylmethoxy)-Benzenemethanol, α-pentyl-3-(2-quinolinylmethoxy)-
REV-901SMR000058509PF 5901RG 5901SR-01000076105DTXSID00906795JRLOEMCOOZSCQP-UHFFFAOYSA-NOpera_ID_512

데이터베이스 식별자

CAS
101910-24-1
PubChem CID
5059
DTXSID
DTXSID00906795

물성

구조 계산 물성

XLogP
5.2
극성 표면적
42.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
8
무거운 원자 수
25
형식 전하
0
복잡도
375

물리화학적 성질

끓는 점
497.7 · 497.7±35.0 °C(Predicted)
밀도
1.123 · 1.123±0.06 g/cm3(Predicted)
저장 조건
Room temperature
용해도
100 mg/ml · ≤100mg/ml in ethanol;100mg/ml in methanol;100mg/ml in acetone;100mg/ml in DMSO;100mg/ml in etonitrile.
물리적 상태
황백색에서 황갈색 고체.
산도 계수 (pKa)
14.48 · 14.48±0.20(Predicted)
색상
white to yellow-brown
InChIKey
JRLOEMCOOZSCQP-UHFFFAOYSA-N
SMILES
n1c2c(ccc1COc3cc(ccc3)C(O)CCCCC)cccc2

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 4건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.

Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.

Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.

응용 분야

개요REV 5901 is an antagonist of cysteinyl-leukotriene receptors with a Ki value of 0.7 μM for guinea pig lung membranes. It is also an inhibitor of rat neutrophil 5-LO with an IC50 value of 0.12 μM.

용도REV 5901 is an antagonist of cysteinyl-leukotriene receptors with a Ki value of 0.7 μM for guinea pig lung membranes. It is also an inhibitor of rat neutrophil 5-LO with an IC50 value of 0.12 μM.

공급사14 곳

上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
Aladdin Scientific[email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

관련 반응

5건
반응 기록 만들기
HRID 208957 반응식
HRID 208957반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 414843 반응식
HRID 414843반응물로uspto-grants-1988_12
HRID 414844 반응식
HRID 414844반응물로uspto-grants-1988_12
HRID 1732107 반응식
HRID 1732107반응물로uspto-grants-1986_11
HRID 2325219 반응식
HRID 2325219반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL8747
ChEBI
CHEBI:91821
UNII
WNW5RYD8MG
EC Number
634-425-3
Nikkaji
J291.659B
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
BOC Sciences[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]