기본 정보
- CAS
1405-37-4- 표준 SMILES
C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCN=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.NCCCC(N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCN=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC1=O.O=S(=O)(O)O.O=S(=O)(O)O- InChIKey
TUATYNXRYJTQTQ-BVRBKCERSA-N- 분자식
- C50H92N28O23S2
- 평균 분자량
- 1,517.6 g/mol
- 단동위원소 질량
- 1,516.6331536
개요
Capreomycin Sulfate is a calcium salt form of capreomycin, a cyclic polypeptide isolated from Streptomyces capreolus with antitubercular activity. Capreomycin acts by blocking bacterial ribosomal translocation.
이름 및 식별자
- 우선 이름
- Capreomycin Sulfate
- IUPAC
- 3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;3,6-diamino-N-[[(2S,5S,8Z,11S,15S)-15-amino-11-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-8-[(carbamoylamino)methylidene]-2-methyl-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentazacyclohexadec-5-yl]methyl]hexanamide;sulfuric acid
- 영어명
- Capastat sulfate
- 분자식
- C24H44N14O12S
- 분자량
- 752.76
이름 및 동의어
Capreomycin sulphateCapastat sulphateCapreomycini sulfasCapreomycin, sulfate (1:2) (salt)NSC-755904RefChem:54695CHEBI:33729H8D3J7V21215-776-81405-37-4Capastat sulfateCapreomycin Sulfate
이름 더 보기
HSDB3211HSDB 3211HSDB-3211CapromycinsulfateSpiramycin sulfateCapreomicin sulphate
Capreomycin, sulfate (salt)CaprocinOgostalCHEMBL2218913SCHEMBL30210777Capastat sulfate (Capreomycin sulfate)Capreomycin sulfate (Capastat sulfate)
데이터베이스 식별자
- CAS
1405-37-4- PubChem CID
- 71457947
- ChEMBL
CHEMBL2218913- EC Number
- 215-776-8
물성
구조 계산 물성
- 극성 표면적
- 903 Ų
- 수소 결합 공여자 수
- 31
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 103
- 형식 전하
- 0
- 복잡도
- 2,550
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
물리화학적 성질
- 녹는점
- 220 oC · >220oC (dec.)
- 끓는 점
- 1377 ℃ · 1377℃
- 인화점
- 110 ° · >110°(230°F)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 2 O: · H2O: 용해성50mg/mL
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 자유롭게 용해됨
- 안정성
- 흡습성
- InChIKey
- LFFNIXQXRKNZCE-XYHGUWSSSA-N
- SMILES
- C1(CCNC(=N)N1)[C@H]1C(=O)NC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CNC(=O)[C@@H](N)CCCN)C(=O)N/C(=C\NC(=O)N)/C(=O)N1)CO.S(=O)(=O)(O)O |&1:7,12,17,21,26,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Other Safety InformationIMAP assessments - Capreomycin, sulfate (salt): Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Capreomycin sulfate
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- 3
- rtecs
- EX8930000
- 독성
- LD50 intravenous in mouse: 250mg/kg
- HS 번호
- 2941901010
- risk_code
- 61-20/21/22
- hazard_code
- T
- safety_code
- 53-22-36/37/39-45
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Substances obtained from various species of microorganisms that are, alone or in combination with other agents, of use in treating various forms of tuberculosis; most of these agents are merely bacteriostatic, induce resistance in the organisms, and may be toxic.
Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.
Substances that inhibit the growth or reproduction of BACTERIA.
응용 분야
개요Capreomycin is a polypeptide antibiotic first isolated from S. capreolus. It is cytotoxic to M. tuberculosis (MIC = 10 μg/ml). Capreomycin is more effective against M. tuberculosis when combined with aminoglycoside antibiotics.
용도antibacterial, tuberculostatic
일반 설명Capreomycin was found as an antituberculotic antibiotic by Herr et al. of Eli Lilly & Co. in the culture broth of Streptomyces capreolus NRRL2773 in 1962. It shows no cross-resistance with streptomycin and is used against tuberculosis caused by streptomycinresistant Mycobacterium or for patients with adverse side effects caused by streptomycin.
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