기본 정보
- 표준 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- 분자식
- C56H96N10O19
- 평균 분자량
- 1,213.4 g/mol
개요
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.
이름 및 식별자
- 우선 이름
- 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
이름 및 동의어
Caspofungin acetate179463-17-3caspofungin diacetateCHEBI:59900DTXSID60904590RefChem:56793DTXCID801333717VUW370O5QECancidasMFCD08141839Caspofungin Acetate (>90%)C56H96N10O19
이름 더 보기
Caspofungin acetate (JAN/USAN)AC-27763D02501MK-0991 (Acetate);L-743872 (Acetate)SCHEMBL149293AKOS025401982FC16269Caspofungin acetate - Bio-X trade mark
데이터베이스 식별자
- CAS
179463-17-3- PubChem CID
- 6850808
- ChEMBL
CHEMBL5314378- EC Number
- 605-859-0
물성
구조 계산 물성
- 극성 표면적
- 487 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 22
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 1,930
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
안전 및 규제
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesEye Dam. 1 (93%)
독성 정보
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
화학 및 산업
약리 정보
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.
용도 및 제조
UsesUse (kg) in USA (2002): 5
관련 반응
4건
연결된 노트
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