기본 정보
- CAS
17466-45-4- 표준 SMILES
CC1NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c([nH]c4ccccc34)SCC(NC(=O)C(C(C)O)NC1=O)C(=O)N1CC(O)CC1C(=O)NC(C)C(=O)N2- InChIKey
KPKZJLCSROULON-UHFFFAOYSA-N- 분자식
- C35H48N8O11S
- 평균 분자량
- 788.9 g/mol
- 단동위원소 질량
- 788.31632536
개요
See also: Phalloidin (annotation moved to).
이름 및 식별자
- 우선 이름
- Phalloidin from Amanita phalloides
- IUPAC
- 28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
- 현지명
- 팔로이딘
- 영어명
- PHALLOIDIN
- 분자식
- C35H48N8O11S
- 분자량
- 788.87
이름 및 동의어
Phalloidin from Amanita phalloidesC35H48N8O11S28-(2,3-Dihydroxy-2-methylpropyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptoneSCHEMBL39329GTPL4736orb1706102MSK7217KPKZJLCSROULON-UHFFFAOYSA-NNSC523214SMP1_000234DA-65261LS-15367
이름 더 보기
팔로이딘PHALLOIDINphalloidineGlycerol Formal Impurity 5Phalloidin *CAS#: 17466-45-4*PHALLOIDIN, AMANITA PHALLOIDESPhalloidin trifluoroacetate saltPhalloidin, 90%, from Amanita phalloides
Phalloidin from Amanita phalloides, >=90%NS00015477T19512(2,3-dihydroxy-2-methyl-propyl)-hydroxy-(1-hydroxyethyl)-dimethyl-[?]heptone28-(2,3-dihydroxy-2-methyl-propyl)-18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone29-(2,3-Dihydroxy-2-methylpropyl)-2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl-1,2,3,3a,5,6,8,9,10,15-decahydro-17H-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indole-4,7,19,22,25,28,31(18H)-heptoneCyclic(L-alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-alanyl-2-mercapto-L-tryptophyl-4, cyclic (3.fwdarw.6)-sulfideCyclo(L-alanyl-2-mercapto-L-tryptophanyl-4,5-dihydroxy-L-leucyl-L-alanyl-threonyl-cysteinyl-L-cis-4-hydroxy-L-prolyl, cyclic (2, 6)-sulfide
데이터베이스 식별자
- CAS
17466-45-4- PubChem CID
- 4752
- DTXSID
DTXSID3037254
물성
구조 계산 물성
- XLogP
- -1.7
- 극성 표면적
- 317 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,510
물리화학적 성질
- 녹는점
- 280 · 280-282°
- 밀도
- 1.1612 · 1.1612 (rough estimate)
- 굴절률
- 1.74 · 1.7400 (estimate)
- 저장 조건
- 2 C · +2C to +8C
- 용해도
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: 10 mg/ml; Water: 0.5 mg/ml (warm)
- 물리적 상태
- 백색 결정성 고체
- 끓는 점
- 1370.5 · 1370.5±65.0 °C(Predicted)
- 산도 계수 (pKa)
- 13.03 · 13.03±0.70(Predicted)
- 색상
- 물에서 나온 육수화물, 바늘 또는 결정
- 생물학적 소스
- Amanita phalloides
- 수용성
- 1 mg/ml · Soluble to 1 mg/ml in water
- Merck
- 13 · 13,7273
- BRN
- 4347460 · 4347460
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChIKey
- KPKZJLCSROULON-UHFFFAOYSA-N
- SMILES
- CC(O)C1NC(=O)C(C)NC(=O)C(CC(C)(O)CO)NC(=O)C2Cc3c(SCC(NC1=O)C(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)[nH]c5ccccc35
화학적 성질
white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- rtecs
- SE9800000
- ridadr
- UN 3462 6.1/PG 2
- 독성
- LD50 i.m. in albino mice: 3.3 mg/g (Vogt); LD50 i.p. in mice: 2 mg/kg (Wieland, Wieland)
- HS 번호
- 2934999090
- risk_code
- 26/27/28
- hazard_code
- T+
- safety_code
- 22-28-36/37-45
- 포장분류
- I
- 위험 등급
- 6.1(a)
- F 고인화성물질
- 18
- Hazard Classifications
- Acute Tox. 2 Oral
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 유해 물질 데이터
- 17466-45-4(Hazardous Substances Data)
화학 및 산업
응용 분야
개요Phalloidin is a natural mycotoxin first isolated from the death cap mushroom, A. phalloides. It binds F-actin and stabilizes actin fibers. Fluorescently labeled phalloidin is commonly used to stain F-actin in cells.
용도Phalloidin has been used: As a supplement in PEM buffer and dimethyl sulfoxide (DMSO).As a drug.In immunohistochemistry to stain F-actin.
일반 설명Phalloidin is a phallotoxin produced by death cap mushroom Amanita phalloides. It is a cyclic peptide, which interacts with actin, and this was first identified in phalloidin-poisoned rats. It is a heptapeptide, cyclic in nature, with a crosslink between tryptophan at position 6 and cysteine at position 3. The side chain of amino acid 7 (γ-δ-dihydroxyleucine) in phalloidin, is accessible to modifications, through which fluorescently labeled phalloidin compounds can be produced.
공급사65 곳
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추가 설명
정의ChEBI: A homodetic bicyclic heptapeptide having a sulfide bridge.
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