データを補完しています。通常は 1 分以内に完了します
基本情報
- CAS
179463-17-3- 標準SMILES
CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O- InChIKey
OGUJBRYAAJYXQP-LLXMLGLCSA-N- 分子式
- C56H96N10O19
- 平均分子量
- 1,213.4 g/mol
概要
Caspofungin Acetate is the acetate salt of an antimycotic echinocandin lipopeptide, semisynthetically derived from a fermentation product of the fungus Glarea lozoyensis. Caspofungin inhibits 1,3-beta-glucan synthase, resulting in decreased synthesis of beta(1,3)-D-glucan (an essential component of the fungal cell wall), weakening of the fungal cell wall, and fungal cell wall rupture. This agent is active against Aspergillus and Candida species.
名称と識別子
- 優先名称
- Caspofungin Acetate
- IUPAC
- acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
名称と別名
Caspofungin acetate179463-17-3caspofungin diacetateCHEBI:59900DTXSID60904590RefChem:56793DTXCID801333717VUW370O5QECancidasMFCD08141839Caspofungin Acetate (>90%)C56H96N10O19
名称をさらに表示
Caspofungin acetate (JAN/USAN)AC-27763D02501MK-0991 (Acetate);L-743872 (Acetate)SCHEMBL149293AKOS025401982FC16269Caspofungin acetate - Bio-X trade mark
データベース識別子
- CAS
179463-17-3- PubChem CID
- 6850808
- ChEMBL
CHEMBL5314378- EC Number
- 605-859-0
物性
構造計算による物性補完中
- 極性表面積
- 487 Ų
- 水素結合供与体数
- 18
- 水素結合受容体数
- 22
- 回転可能結合数
- 23
- 重原子数
- 85
- 形式電荷
- 0
- 複雑度
- 1,930
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
安全と法規制
GHS分類
GHS Classification
Danger
H318 (93%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P203, P260, P263, P264, P264+P265, P270, P273, P280, P305+P354+P338, P317, P318, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesEye Dam. 1 (93%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Caspofungin acetate
Ambiguous-DILI-concern
7
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
化学と産業
薬理情報
FDA Pharmacological Classification
CASPOFUNGIN ACETATE
Lipopeptides [CS]; Echinocandin Antifungal [EPC]
MeSH Pharmacological Classification
Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
用途と製造
UsesUse (kg) in USA (2002): 5
関連反応
4 件
化合物ノート
読み込み中…