Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 3979생성일: 2026년 11월 2일

텔레오시디나-2

텔레오시디나-2 · TELEOCIDINA-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-one · 3H-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)-

https://huagongshe.com/ko/chemical/3979

식별자 및 물리적 특성

CAS No.	102209-77-8
분자식	C27H39N3O2
평균 분자량	437.6 g/mol
단동위원소 질량	437.3042275 g/mol
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
PubChem CID	3979
ChEMBL	CHEMBL581451
ChEBI	CHEBI:80050
DTXSID	DTXSID10907258
현지명	텔레오시디나-2

화학 및 물리적 성질

XLogP	6.2
극성 표면적	68.4
수소 결합 공여자 수	3
수소 결합 수용자 수	3
회전 가능 결합 수	7
무거운 원자 수	32
형식 전하	0
복잡도	701
끓는 점	665.1±55.0 °C(Predicted)
밀도	1.060±0.06 g/cm3(Predicted)
pKa(산도 계수)	14.39±0.10(Predicted)

안전 및 규제

건강 영향	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)
노출 경로	Dermalingestion
독성 요약	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 Symptoms	Inflammation of the skin, blistering.
Carcinogen Classification	Not listed by IARC.

텔레오시디나-2

식별자 및 물리적 특성

CAS No.

102209-77-8

분자식

C27H39N3O2

평균 분자량

437.6 g/mol

단동위원소 질량

437.3042275 g/mol

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

PubChem CID

3979

ChEMBL

CHEMBL581451

ChEBI

CHEBI:80050

DTXSID

DTXSID10907258

현지명

텔레오시디나-2

XLogP

6.2

극성 표면적

68.4

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

701

끓는 점

665.1±55.0 °C(Predicted)

밀도

1.060±0.06 g/cm3(Predicted)

pKa(산도 계수)

14.39±0.10(Predicted)

안전 및 규제

건강 영향

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)

노출 경로

Dermalingestion

독성 요약

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 Symptoms

Inflammation of the skin, blistering.

Carcinogen Classification

Not listed by IARC.