기본 정보
- CAS
21705-02-2- 표준 SMILES
CCC(C)C1NC(=O)CNC(=O)C2Cc3c([nH]c4cc(O)ccc34)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(=O)O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(C)O)C(=O)N2- InChIKey
OFILNAORONITPV-UHFFFAOYSA-N- 분자식
- C39H53N9O14S
- 평균 분자량
- 904 g/mol
- 단동위원소 질량
- 903.34326857
개요
ε-amanitin has been reported in Acanthochlamys bracteata with data available.
이름 및 식별자
- 우선 이름
- epsilon-Amanitin
- IUPAC
- 2-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
- 현지명
- 엡실론아마니틴
- 영어명
- EPSILON-AMANITIN
- 분자식
- C39H53N9O14S
- 분자량
- 903.96
이름 및 동의어
epsilon-Amanitin21705-02-22-[34-butan-2-yl-8,22-dihydroxy-13-(3-hydroxybutan-2-yl)-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acidalpha-Amanitin, 1-L-aspartic acid-3-((S)-4-hydroxy-L-isoleucine)-alpha-Amanitin, 1-L-aspartic acid-3-(4-hydroxy-L-isoleucine)-, (S)-9,18-(Iminoethaniminoethaniminoethaniminomethano)pyrrolo(1',2':8,9)(1,5,8,11,14)thiatetraazacyclooctadecino(18,17-b)indole-6-acetic acid, 1,2,3,5,6,7,8,9,10,12,17,18,19,20,21,22,23,23a-octadecahydro-29-sec-butyl-2,14-dihydroxy-21-(2-hydroxy-1-methylpropyl)-5,8,20,23,24,27,30,33-octaoxo-, 11-oxideCyclo(L-alpha-aspartyl-4-hydroxy-L-prolyl-(S)-4-hydroxy-L-isoleucyl-6-hydroxy-2-mercapto-L-tryptophylglycyl-L-isoleucylglycyl-L-cysteinyl), cyclic (4-8)-sulfide, (R)-8-oxidee-Amantin2-((1R,4S,8R,10S,13S,16S,34S)-34-((2S)-butan-2-yl)-2,8,11,14,22,30,33,36,39-nonahydroxy-13-((2R,3S)-3-hydroxybutan-2-yl)-5,27-dioxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonaazapentacyclo(14.12.11.06,10.018,26.019,24)nonatriaconta-2,11,14,18(26),19(24),20,22,29,32,35,38-undecaen-4-yl)acetic acid
물성
구조 계산 물성
- XLogP
- -2.7
- 극성 표면적
- 374 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,820
물리화학적 성질
- 밀도
- 1.1627 · 1.1627 (rough estimate)
- 굴절률
- 1.74 · 1.7400 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Treatment
Treatment involves high dose penicillin as well as supportive care in cases of hepatic and renal injury. Cautious attention is given to maintaining hemodynamic stability, although if hepatorenal syndrome has developed the prognosis is guarded at best. (L1774)
Treatment involves high dose penicillin as well as supportive care in cases of hepatic and renal injury. Cautious attention is given to maintaining hemodynamic stability, although if hepatorenal syndrome has developed the prognosis is guarded at best. (L1774)
Health Effects
Amatoxins cause liver damage. They may also affect the kidneys. The most severe effects are toxic hepatitis with centrolobular necrosis and hepatic steatosis, as well as acute tubulointerstitial nephropathy, which altogether induce a severe hepatorenal syndrome. (L1774)
Amatoxins cause liver damage. They may also affect the kidneys. The most severe effects are toxic hepatitis with centrolobular necrosis and hepatic steatosis, as well as acute tubulointerstitial nephropathy, which altogether induce a severe hepatorenal syndrome. (L1774)
Exposure Routes
Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Oral, dermal, inhalation, and parenteral (contaminated drugs). (A3101)
Toxicity Summary
The major toxic mechanism of amatoxins is the inhibition of RNA polymerase II, a vital enzyme in the synthesis of messenger RNA (mRNA), microRNA, and small nuclear RNA (snRNA). Without mRNA, essential protein synthesis, and hence cell metabolism, grind to a halt and the cell dies. (L1774)
The major toxic mechanism of amatoxins is the inhibition of RNA polymerase II, a vital enzyme in the synthesis of messenger RNA (mRNA), microRNA, and small nuclear RNA (snRNA). Without mRNA, essential protein synthesis, and hence cell metabolism, grind to a halt and the cell dies. (L1774)
Signs and Symptoms
Diarrhea and cramps are the first symptoms. (L993)
Diarrhea and cramps are the first symptoms. (L993)
화학 및 산업
용도 및 제조
Uses
Amatoxins are a subgroup of at least eight toxic compounds found in several genera of poisonous mushrooms, most notably Amanita phalloides and several other members of the genus Amanita, as well as some Conocybe, Galerina and Lepiota mushroom species. (L1774)
Amatoxins are a subgroup of at least eight toxic compounds found in several genera of poisonous mushrooms, most notably Amanita phalloides and several other members of the genus Amanita, as well as some Conocybe, Galerina and Lepiota mushroom species. (L1774)
공급사2 곳
MedChemExpress[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
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