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텔레오시디나-2

N-(3-benzylpurin-6-yl)acetamide

HCID 3979
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
102209-77-8
표준 SMILES
C=CC(C)(CCC=C(C)C)c1ccc2c3c(c[nH]c13)CC(CO)NC(=O)C(C(C)C)N2C
InChIKey
KISDGNGREAJPQR-UHFFFAOYSA-N
분자식
C27H39N3O2
평균 분자량
437.6 g/mol
단동위원소 질량
437.3042275

개요

Lyngbyatoxin is a monoterpenoid.

이름 및 식별자

우선 이름
N-(3-benzylpurin-6-yl)acetamide
IUPAC
5-(3,7-dimethylocta-1,6-dien-3-yl)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
현지명
텔레오시디나-2
영어명
TELEOCIDINA-2
분자식
C27H39N3O2
분자량
437.62

이름 및 동의어

GNF-Pf-3063CHEMBL581451SCHEMBL29360091CHEBI:80050DTXSID10907258N-(3-benzylpurin-6-yl)acetamideBS-1611DS-001860Lyngbyatoxin A putative or close isomer M+HQ27149201Lyngbyatoxin A; Teleocidin A; Teleocidin A1; FM-5597; FM-66699-(3,7-dimethylocta-1,6-dien-3-yl)-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one
이름 더 보기
텔레오시디나-2TELEOCIDINA-2(2S,5S)-9-[(S)-1-Ethenyl-1,5-dimethyl-4-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-isopropyl-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one(2S,5S)-9-[(S)-1-Ethenyl-1,5-dimethyl-4-hexenyl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-isopropyl-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonine-3-one3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one, 9-[(1S)-1-ethenyl-1,5-dimethyl-4-hexen-1-yl]-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S,5S)-

물성

구조 계산 물성

XLogP
6.2
극성 표면적
68.4 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
32
형식 전하
0
복잡도
701

물리화학적 성질

끓는 점
665.1 · 665.1±55.0 °C(Predicted)
밀도
1.06 · 1.060±0.06 g/cm3(Predicted)
산도 계수 (pKa)
14.39 · 14.39±0.10(Predicted)

안전 및 규제

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

독성 정보

Health Effects · 1건

Lyngbyatoxin A is known as the causative agent of 'swimmer’s itch' with its highly inflammatory effect (A15358). Lyngbyatoxin A is a potent irritant and vesicant, as well as a carcinogen. Low concentrations more commonly encountered cause milder symptoms, known as seaweed dermatitis. (Wikipedia)

Exposure RoutesDermal; ingestion
Toxicity Summary · 1건

Lyngbyatoxin A is a tumor promoter. Lyngbyatoxin A and related compounds bind to the cysteine-rich C1 domains (C1A and C1B) of protein kinase C (PKC) isozymes to activate them, possibly leading to tumor formation (A15358). In cancer cells, PKC isozymes are involved in cell proliferation, survival, invasion, migration, apoptosis, angiogenesis, and anticancer drug resistance through their increased or decreased participation in various cellular signaling pathways (L2138). Lyngbyatoxin A also induces ornithine decarboxylase (A3219). The ornithine decarboxylation reaction catalyzed by ornithine decarboxylase (ODC) is the first and committed step in the synthesis of polyamines, particularly putrescine, spermidine and spermine. ODC is upregulated in a wide variety of cancers. The mechanism by which ODC promotes carcinogenesis is complex and not entirely known. Along with their direct effect on DNA stability, polyamines also upregulate gap junction genes and downregulate tight junction genes. Gap junction genes are involved in communication between carcinogenic cells and tight junction genes act as tumor suppressors. (Wikipedia)

Signs and SymptomsInflammation of the skin, blistering.
Carcinogen ClassificationNot listed by IARC.

화학 및 산업

용도 및 제조

Uses · 1건

Lyngbyatoxin A is a cyanotoxin produced by certain cyanobacteria species, notably <i>Moorea producens</i> (formerly classified as <i>Lyngbya majuscula</i>). It is used as a defensive secretion to protect this cyanobacteria from predation by fish, being a potent irritant and vesicant, as well as a carcinogen. The toxin is highly inflammatory and vesicatory.

공급사1 곳

武汉丽合智造生物科技有限公司18971458902 · [email protected]

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데이터베이스 식별자

CAS
102209-77-8、70497-14-2
PubChem CID
3979
DTXSID
DTXSID10907258
ChEMBL
CHEMBL581451
ChEBI
CHEBI:80050
Nikkaji
J122.716E