메틸카페트

Methyl Caffeate

HCID 689075
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기본 정보

CAS
3843-74-1
표준 SMILES
COC(=O)/C=C/c1ccc(O)c(O)c1
InChIKey
OCNYGKNIVPVPPX-HWKANZROSA-N
분자식
C10H10O4
평균 분자량
194.18 g/mol
단동위원소 질량
194.0579088

개요

Methyl caffeate is an alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol. It is a methyl ester and an alkyl caffeate ester.

이름 및 식별자

우선 이름
Methyl Caffeate
IUPAC
methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
현지명
메틸카페트
영어명
Methyl caffeate
분자식
C10H10O4
분자량
194.18

이름 및 동의어

Methyl caffeate3843-74-1Caffeic acid methyl esterMETHYLCAFFEATECaffeic acid, methyl estermethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoatemethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateDTXSID401030290N79173B9HFCHEBI:68562-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl esterRefChem:30878
이름 더 보기
메틸카페트Maritin EMethyl CaffeatelMethylCaffeate>Methyl caffeate,98%Caffeic acid methylTIMTEC-BB SBB000325Methyl caffeate acid
DTXCID601515387808-143-867667-67-8methyl 3-(3,4-dihydroxyphenyl)acrylate(E)-methyl 3-(3,4-dihydroxyphenyl)acrylateMETHYL CAFFEOATEMFCD00210468(E)-3,4-Dihydroxycinnamic Acid Methyl Ester

데이터베이스 식별자

CAS
3843-74-1
PubChem CID
689075
DTXSID
DTXSID401030290
ChEMBL
CHEMBL17001
ChEBI
CHEBI:6856
UNII
N79173B9HF
EC Number
808-143-8
Nikkaji
J1.450.856B、J46.681F

물성

구조 계산 물성

XLogP
1.5
극성 표면적
66.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

LogP2.22

물리화학적 성질

녹는점
158 · 158-161°C
끓는 점
368 ℃ · 368℃
밀도
1.318 · 1.318
굴절률
1.5168 · 1.5168 (estimate)
인화점
80 °C · 80 °C
저장 조건
2 · Sealed in dry,2-8°C

화학적 성질

slightly yellowish solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호
2918.29.7500
safety_code
24/25

화학 및 산업

응용 분야 · 2건

개요Caffeic acid methyl ester is an ester of a naturally occurring phenolic compound found in P. amplexicaule var. sinense and S. torvum fruits. At 40 mg/kg, it demonstrates antihyperglycemic and antidiabetic activity in diabetic rats, upregulating GLUT4 and regenerating pancreatic β-cells. At 10 mg/kg, it can induce anti-inflammatory and antinociceptive effects in rat models of edema and pain, inhibiting nitric oxide and prostaglandin E2 production, as well as tumor necrosis factor-α release.

용도Inhibitor of protein tyrosine kinase

공급사100 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

추가 설명

정의ChEBI: An alkyl caffeate ester formed by the formal condensation of caffeic acid with methyl alcohol.

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