Turletricin
기본 정보
- CAS
2761794-74-3- 표준 SMILES
C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)NC(CO)CO- InChIKey
DYFDQVUOYRWTOB-JYUTVPRCSA-N- 분자식
- C50H80N2O18
- 평균 분자량
- 997.2 g/mol
- 단동위원소 질량
- 996.54061371
개요
Turletricin is a structurally modified derivative of the polyene antifungal antibiotic amphotericin B, with potential antifungal activity, especially against certain antifungal-resistant and/or invasive fungal pathogens such as Aspergillus, Candida and Cryptococcus species. Upon intravenous administration, turletricin froms extramembraneous sponge-like aggregates which bind to ergosterol, an essential component of the fungal cell membrane. By binding to ergosterol from fungal cell membranes, turletricin alters cell membrane integrity, resulting in leakage of intracellular components and cell rupture, and causing fungal cell death. EL219 is designed to enhance ergosterol selectivity over mammalian cholesterol and reduce amphotericin B-mediated nephrotoxicity.
이름 및 식별자
- 우선 이름
- Turletricin
- IUPAC
- (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-(1,3-dihydroxypropan-2-yl)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide
이름 및 동의어
TurletricinAM-2-192761794-74-3turletricin [INN]TDF5DY3ZVYAM-2-19 free baseTURLETRICIN [USAN]Sfu-AM2-19SCHEMBL26741761EL219SF001 (AM-2-19)HY-161091
이름 더 보기
CS-0926500(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-(((2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-N-(1,3-dihydroxypropan-2-yl)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamide(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-(1,3-dihydroxypropan-2-yl)-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxamideAmphotericin B, 19-O-(3-amino-3,6-dideoxy-beta-D-glucopyranosyl)-19-O-de(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)-16-decarboxy-16-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]carbonyl]-
데이터베이스 식별자
- CAS
2761794-74-3- PubChem CID
- 170453316
- UNII
- TDF5DY3ZVY
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 352 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,770
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