1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one

HCID 94240CAS 2657-25-2

기본 정보

표준 SMILES: O=C(C=Cc1ccccc1)c1ccc(O)cc1
InChIKey: UAHGNXFYLAJDIN-UHFFFAOYSA-N
분자식: C15H12O2
평균 분자량: 224.25 g/mol
단동위원소 질량: 224.08372962

이름 및 식별자

우선 이름: 1-(4-Hydroxyphenyl)-3-phenylprop-2-en-1-one
IUPAC: 1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one
영어명: 4'-Hydroxychalcone
분자식: C15H12O2
분자량: 224.25

이름 및 동의어

1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-oneMFCD000164844-CinnamoylphenolSPECTRUM200407BIDD:ER00831-(4-Hydroxyphenyl)-3-phenyl-2-propenal(E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenoneSpectrum_000721Spectrum2_000203Spectrum3_000175Spectrum4_001607KBioGR_001953

이름 더 보기

4'-HydroxychalconeHYDROXYCHALCONE, 4'-4'-Hydroxychalcone98%4'-Hydroxychalcone>4'-Hydroxychalcone 98%4'-Hydroxychalcone,97%4’-Hydroxychalcone-97%HYDROXYCHALCONE, 4-(RG)4'-Hydroxychalcone, ≥ 95.0%2-BENZAL-4'-HYDROXYACETOPHENONE

KBioSS_001201SCHEMBL127606SPBio_000185KBio2_001201KBio2_003769KBio2_006337KBio3_001169UAHGNXFYLAJDIN-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 2657-25-2
PubChem CID: 94240
DTXSID: DTXSID8022458

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 269

물리화학적 성질

녹는점: 174 · 174-178 °C
끓는 점: 419.6 · 419.6±45.0 °C(Predicted)
밀도: 1.191 · 1.191±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:4): 0.2 mg/ml
물리적 상태: powder to crystal
산도 계수 (pKa): 7.72 · 7.72±0.15(Predicted)
색상: Light orange to Yellow to Green
BRN: 2049150 · 2049150
InChI: InChI=1S/C15H12O2/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11,16H
InChIKey: UAHGNXFYLAJDIN-IZZDOVSWSA-N
SMILES: C(C1=CC=C(O)C=C1)(=O)C=CC1=CC=CC=C1
LogP: 3.65 · 3.650 (est)

화학적 성질

yellow-cream powder

안전 및 규제

안전 데이터

HS 번호: 29145090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-37

화학 및 산업

응용 분야 · 2건

개요4''-hydroxy Chalcone is a chalcone metabolite with diverse biological activities. It is formed when chalcone is metabolized by the cytochrome (CYP) P450 isoform CYP1A1 or CYP2C6. 4''-hydroxy Chalcone is estrogenic in MCF-7 cells and is cytotoxic at concentrations higher than 100 nM. It inhibits TNF-α-induced NF-κB signaling and the trypsin-, chymotrypsin-, and caspase-like proteolytic activities of the 26S proteasome in K562 cells in a dose-dependent manner. 4''-hydroxy Chalcone reduces growth of K562, U937, and Jurkat cancer cell lines in a dose-dependent manner without effecting viability of peripheral blood mononuclear cells (PBMCs). It also inhibits glutathione reductase (GSH-RD; IC50 = 47.3 μM) in vitro in a reversible and non-competitive manner.

용도antineoplastic,

상·하류 제품 정보

상류 원료

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

추가 설명

정의ChEBI: A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 4'.

연결된 노트

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