2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one

HCID 3973CAS 154447-36-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12
InChIKey
CZQHHVNHHHRRDU-UHFFFAOYSA-N
분자식
C19H17NO3
평균 분자량
307.3 g/mol
단동위원소 질량
307.1208434

개요

LY294002 is a chromone substituted with a phenyl group at position 8 and a morpholine group at position 2. It has a role as a geroprotector, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an autophagy inhibitor. It is a member of chromones, an organochlorine compound and a member of morpholines.

이름 및 식별자

우선 이름
2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
IUPAC
2-morpholin-4-yl-8-phenylchromen-4-one
영어명
LY 294002 Hydrochloride
분자식
C19H17NO3
분자량
307.34

이름 및 동의어

154447-36-6LY294002LY 2940022-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-oneLY-2940022-morpholin-4-yl-8-phenylchromen-4-one31M2U1DVIDDTXSID60426504H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-NSC-697286SF-1101CHEBI:65329
이름 더 보기
YXCS-1859SF 1101LY240092NSC 697286LY294002HClLY294002/PI3KLY 294002, 99+%LY294002 ，S1105
RefChem:458194DTXCID4022650PI3K/BET INHIBITOR LY2940022-morpholino-8-phenyl-4H-chromen-4-one2-morpholin-4-yl-8-phenyl-4H-chromen-4-oneMFCD002708812-(morpholin-4-yl)-8-phenyl-4H-chromen-4-oneUNII-31M2U1DVID

데이터베이스 식별자

CAS
154447-36-6
PubChem CID
3973
DTXSID
DTXSID6042650
ChEMBL
CHEMBL98350
ChEBI
CHEBI:65329
UNII
31M2U1DVID
EC Number
960-639-4
Nikkaji
J615.849H

물성

구조 계산 물성

XLogP
3.1
극성 표면적
38.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
23

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.9

물리화학적 성질

녹는점
183 · 183-185℃
끓는 점
494.6 · 494.6±45.0 °C(Predicted)
밀도
1.266 · 1.266
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
5 mg/mL · DMSO: >5mg/mL
물리적 상태
고체

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk
3
HS 번호
29349990
safety_code
24-25
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

응용 분야

개요LY294002 is a selective phosphatidylinositol 3-kinase (PI3K) inhibitor with a 2.7-fold greater potency than quercetin. LY294002 inhibits purified PI3K with an IC50 of 1.4 μM.

용도A potent blocker of PI 3-kinase/Akt signaling.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
추가 설명 · 1건

정의ChEBI: LY294002 is a chromone substituted with a phenyl group at position 8 and a morpholine group at position 2. It has a role as an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor, an autophagy inhibitor and a geroprotector. It is a member of chromones, a member of morpholines and an organochlorine compound.

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