기본 정보
- CAS
58944-73-3- 표준 SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](N)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O- InChIKey
LMXOHSDXUQEUSF-YECHIGJVSA-N- 분자식
- C15H23N7O5
- 평균 분자량
- 381.39 g/mol
- 단동위원소 질량
- 381.17606686
개요
Sinefungin is an adenosine that is the the delta-(5'-adenosyl) derivative of ornithine. It has a role as an antimicrobial agent and an antifungal agent. It is a member of adenosines and a non-proteinogenic alpha-amino acid. It is functionally related to a L-ornithine.
이름 및 식별자
- 우선 이름
- Sinefungin
- IUPAC
- (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
- 현지명
- 신펑인
- 영어명
- SINEFUNGIN
- 분자식
- C15H23N7O5
- 분자량
- 381.39
이름 및 동의어
sinefungin58944-73-3SinefungineSinefunginaAntibiotic A 9145ADENOSYL-ORNITHINECompound 57926SinefunginumAdenosylornithineA 9145LILLY 579266,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxydecofuranuronic acid
이름 더 보기
신펑인SFDCUAFPHHSHEP7A-9145DFNA69DFNB39rp3223232232RP
W2U467CIIL6,9-Diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-beta-D-ribo-decofuranuronic acid(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acidLY-57926DTXSID10207689Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-CHEBI:45453(2S,5S)-2,5-diamino-6-[(2R,3S,R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]hexanoic acid
데이터베이스 식별자
- CAS
58944-73-3- PubChem CID
- 65482
- DTXSID
DTXSID10207689
물성
구조 계산 물성
- XLogP
- -4.3
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 529
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 783.2 · 783.2±70.0 °C(Predicted)
- 밀도
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 용해성
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- pKa (66% DMF): 2.9, 3.9, 8.9, 10.2(at 25℃)
- 색상
- 흰색에서 노란색으로
- 생물학적 소스
- rat
- 안정성
- 2 · 제공된 대로 구매일로부터 2년 동안 안정적입니다. 증류수 용액은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
- InChIKey
- LMXOHSDXUQEUSF-YECHIGJVSA-N
- SMILES
- N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- HE3140000
- 독성
- LD50 s.c. in mice: 185 mg/kg (Hamill, Hoehn, J. Antibiot.)
- HS 번호
- 29419090
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
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.
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
Substances that are destructive to protozoans.
응용 분야
용도Sinefungin, a polar nucleoside antifungal active with broad biological activity, was isolated from a number of species of Streptomyces in the early 1970s. Sinefungin acts by inhibiting a wide range of methyltransferases, including the methylation of bases in DNA and RNA which alters cytosine deamination and gene expression. Sinefungin is widely used as a bioprobe to block methyltransferase-dependent pathways.
일반 설명Chemical structure: nucleoside
공급사64 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通鲁尔化工有限公司18012215199 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
桑达化工（南通）有限公司0513-88168817 13862717117 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
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