基本情報
- CAS
11113-62-5- 標準SMILES
CC(C)C1OC(=O)[C@H](C(C)C)N(C)C(=O)C(C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)C(C(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O- InChIKey
UAUIZWKMSVSMCO-AIRWFUTASA-N- 分子式
- C33H57N3O9
- 平均分子量
- 639.8 g/mol
- 単同位体質量
- 639.4094804
概要
Fusafungine is an antibiotic from Fusarium lateririum, and is used for the treatment of respiratory infections.
名称と識別子
- 優先名称
- Fusafungine
- IUPAC
- (3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
- 英語名
- ENNIATIN FROM MICROBIAL SOURCE
- 分子式
- C36H63N3O9.C35H61N3O9.C34H59N3O9.C33H57N3O9
- 分子量
- 2643.46
名称と別名
FusafungineFusafunginFusafunginaFusafunginum1393-87-9BioparoxLocabiotalS 314(3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone65DD690W0C(3S,9S,15S)-4,10,16-trimethyl-3,6,9,12,15,18-hexakis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexoneLocabiosol
名称をさらに表示
Enniatin coMplexEnniatin microbialENNIATIN FROM MICROBIAL SOURCE(3S,6R,9S,12R,15S,18R)-3,9,15-tri(butan-2-yl)-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
C29H51N2O8RefChem:921954R02AB03DTXSID301054196S-314215-737-5BiofusalFusaloyos
データベース識別子
- CAS
11113-62-5、1393-87-9
物性
構造計算による物性
- XLogP
- 6.5
- 極性表面積
- 140 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 6
- 重原子数
- 45
- 形式電荷
- 0
- 複雑度
- 952
物理化学的性質
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Soluble in DMSO
- 外見
- powder
- 色
- white
- LogP
- 3.048 · 3.048 (est)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Regulation (EC) No 178/2002 (amended)
Enniatin: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (100%)
安全データ
- ridadr
- 2811
- hs_code
- 2934999090
- risk_code
- 23/24/25
- hazard_code
- T
- safety_code
- 22-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- I
化学と産業
薬理情報
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
応用分野
使用Enniatins are a complex of depsipeptides produced by several Fusarium species. Typically, the complex contains 4 major components: A, A1, B and B1 together with minor amounts of enniatins C, D, E and F. The enniatins act as ionophores. Recently their effects on acyl-CoA cholesterol transferase, as nematocides and the selectivity of their antitumour action have received more focus.
調製方法
純化方法It is a cyclic peptidic ester antibiotic which is recrystallised from EtOH/water but is deactivated in alkaline solution. [Ovchinnikov & Ivanov in The Proteins (Neurath and Hill eds) Academic Press, NY, Vol V pp. 365 and 516 1982, Tomeda et al. J Antibiot 45 1626 1992.]
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