플루테린

Pyoluteorin

HCID 33137

기본 정보

CAS
25683-07-2
표준 SMILES
O=C(c1cc(Cl)c(Cl)[nH]1)c1c(O)cccc1O
InChIKey
JPGWTZORMBTNMF-UHFFFAOYSA-N
분자식
C11H7Cl2NO3
평균 분자량
272.08 g/mol
단동위원소 질량
270.9802985

개요

Pyoluteorin is a member of the class of resorcinols that is resorcinol in which the hydrogen at position 2 is replaced by a 4,5-dichloro-1H-pyrrole-2-carbonyl group. It is a natural product found in Pseudomonas fluorescens which exhibits antibacterial properties and is a strong inducer of caspase-3-dependent apoptosis. It has a role as an antibacterial agent, an antifungal agent, an apoptosis inducer, a marine metabolite and a bacterial metabolite. It is a diol, a polyketide, a member of pyrroles, a member of resorcinols, an organochlorine compound, an organochlorine pesticide, a beta-hydroxy ketone and an aromatic ketone.

이름 및 식별자

우선 이름
Pyoluteorin
IUPAC
(4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
현지명
플루테린
영어명
pyoluteorin
분자식
C11H7Cl2NO3
분자량
272.08

이름 및 동의어

Pyoluteorin25683-07-2(4,5-Dichloro-1H-pyrrol-2-yl)(2,6-dihydroxyphenyl)methanone(4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone3YM4R964TUCHEBI:156453NSC-1430922-(4,5-DICHLORO-1H-PYRROLE-2-CARBONYL)BENZENE-1,3-DIOLMethanone, (4,5-dichloro-1H-pyrrol-2-yl)(2,6-dihydroxyphenyl)-DTXSID30180384RefChem:177380DTXCID40102875
이름 더 보기
플루테린Pyoluteorin, 10 mM in DMSO4,5-Dichloro-1H-pyrrol-2-yl 2,6-dihydroxyphenyl ketone
BRN 0234664KETONE, 4,5-DICHLOROPYRROL-2-YL 2,6-DIHYDROXYPHENYLNSC143092SCHEMBL118719024,5-dichloropyrrol-2-yl 2,6-dihydroxyphenylketoneNSC 143092Methanone, (4,5-dichloro-1H-pyrrol-2-yl) (2,6-dihydroxyphenyl)-UNII-3YM4R964TU

데이터베이스 식별자

CAS
25683-07-2
PubChem CID
33137
DTXSID
DTXSID30180384
ChEMBL
CHEMBL2286204
ChEBI
CHEBI:156453
UNII
3YM4R964TU
EC Number
968-866-0
Nikkaji
J20.016F

물성

구조 계산 물성

XLogP
3.8
극성 표면적
73.3 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
17

물리화학적 성질

녹는점
174 · 174-175 °C (decomp)
끓는 점
436.9 · 436.9±45.0 °C(Predicted)
밀도
1.4931 · 1.4931 (rough estimate)
굴절률
1.614 · 1.6140 (estimate)
저장 조건
-20 °C · Store at -20°C
용해도
DMSO에 용해됨

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 3 (100%)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301

화학 및 산업

응용 분야 · 1건

용도Pyoluteorin is a small chlorinated pyrrol produced by several species of Pseudomonas, first reported in 1958. Pyoluteorin exhibits a broad bioprofile, demonstrating antibiotic, antifungal and herbicidal activity. More recently, pyoluteorin has been investigated as bio-pesticide and has been shown to modulate the levels of metabolites in Pseudomonas.

공급사36 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

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