N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide

AG 489 · Agatoxin489 · Agatoxin-489 · Agatoxin 489 · N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaicosan-1-yl)-1H-indole-3-acetamide · N-(4-Hydroxy-20-amino-4,8,12,17-tetraazaicosane-1-yl)-1H-indole-3-acetamide · N-[3-[3-[3-[4-(3-Aminopropylamino)butylamino]propylamino]propylhydroxyamino]propyl]-1H-indole-3-acetamide

https://huagongshe.com/ko/chemical/131007

N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide 분자 구조식

식별자 및 물리적 특성

CAS No.	128549-96-2
분자식	C26H47N7O2
평균 분자량	489.7 g/mol
단동위원소 질량	489.37912377 g/mol
SMILES	NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12
InChIKey	LIURIBSBVUMOJS-UHFFFAOYSA-N
PubChem CID	131007
ChEMBL	CHEMBL3286869
DTXSID	DTXSID40155922

화학 및 물리적 성질

XLogP	0.6
극성 표면적	130
수소 결합 공여자 수	7
수소 결합 수용자 수	7
회전 가능 결합 수	22
무거운 원자 수	35
형식 전하	0
복잡도	526

안전 및 규제

Treatment	First aid for funnel-web bites consists of applying a pressure immobilization bandage to slow venom movement. Further supportive care may be necessary, but the mainstay of treatment is antivenom. (L1036)
건강 영향	alpha-Agatoxin causes a rapid reversible paralysis. Death can result from progressive hypotension or possibly raised intracranial pressure resulting from cerebral oedema. (L1024, L1036)
노출 경로	Injection (sting/bite) (L1812)
독성 요약	alpha-Agatoxins block the glutamate-activated receptor channels in the neuronal postsynaptic terminals of insects and mammals, preventing excitory junction potential from developing. (L1024)
Signs and Symptoms	The bites of funnel-web spiders may cause tingling around the mouth and tongue, facial muscle twitching, nausea, vomiting, profuse sweating, salivation, and shortness of breath. Patients may also rapidly develop agitation, confusion and coma associated with hypertension, metabolic acidosis, dilation of the pupils, generalised muscle twitching and pulmonary oedema. (L1036)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).

N-(20-Amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-1H-indole-3-acetamide

CAS No.

128549-96-2

분자식

C26H47N7O2

평균 분자량

489.7 g/mol

단동위원소 질량

489.37912377 g/mol

SMILES

NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12

InChIKey

LIURIBSBVUMOJS-UHFFFAOYSA-N

PubChem CID

131007

ChEMBL

CHEMBL3286869

DTXSID

DTXSID40155922

XLogP

0.6

극성 표면적

130

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

526

안전 및 규제

Treatment

First aid for funnel-web bites consists of applying a pressure immobilization bandage to slow venom movement. Further supportive care may be necessary, but the mainstay of treatment is antivenom. (L1036)

건강 영향

alpha-Agatoxin causes a rapid reversible paralysis. Death can result from progressive hypotension or possibly raised intracranial pressure resulting from cerebral oedema. (L1024, L1036)

노출 경로

Injection (sting/bite) (L1812)

독성 요약

alpha-Agatoxins block the glutamate-activated receptor channels in the neuronal postsynaptic terminals of insects and mammals, preventing excitory junction potential from developing. (L1024)

Signs and Symptoms

The bites of funnel-web spiders may cause tingling around the mouth and tongue, facial muscle twitching, nausea, vomiting, profuse sweating, salivation, and shortness of breath. Patients may also rapidly develop agitation, confusion and coma associated with hypertension, metabolic acidosis, dilation of the pupils, generalised muscle twitching and pulmonary oedema. (L1036)

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).