기본 정보
- CAS
3930-19-6- 표준 SMILES
COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O- InChIKey
PVYJZLYGTZKPJE-UHFFFAOYSA-N- 분자식
- C25H22N4O8
- 평균 분자량
- 506.5 g/mol
- 단동위원소 질량
- 506.14376367
개요
Streptonigrin is complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia. It has a role as an antimicrobial agent and an antineoplastic agent. It is a quinolone and a member of pyridines.
이름 및 식별자
- 우선 이름
- Streptonigrin
- IUPAC
- 5-amino-6-(7-amino-6-methoxy-5,8-dioxoquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid
- 영어명
- Streptonigrin
- 분자식
- C25H22N4O8
- 분자량
- 506.46
이름 및 동의어
streptonigrinBruneomycin3930-19-6RufocromomycinNigrinRufocromomycineStreptonigranValacidinRufocromomicinaNSC-45383RufocromomycinumNSC 45383
이름 더 보기
5278r.p.NSC 83950NSC 56748phaeomycinAO 50165L302
NSC45383NSC83950NSC-839502-Pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-5-Amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpicolinic acidCHEBI:9287DTXSID00960034261Q3JB310
데이터베이스 식별자
- CAS
3930-19-6- PubChem CID
- 5298
- DTXSID
DTXSID00960034- ChEMBL
CHEMBL11417- ChEBI
CHEBI:9287- UNII
- 261Q3JB310
- EC Number
- 223-501-8
- Nikkaji
- J2.203I、J2.999.943K、J2.999.944I
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 197 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 944
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
Solubility74.9 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 301 · 301-303℃
- 끓는 점
- 595.12 °C · 595.12°C (rough estimate)
- 밀도
- 1.413 · 1.4130 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Chloroform:Methanol (1:1): 2 mg/ml
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 6.2 · 6.2-6.4 (1:1 aq dioxane)
- 색상
- Light brown to brown
- Merck
- 13 · 13,8907
- BRN
- 599390 · 599390
- InChI
- 1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)
- InChIKey
- PVYJZLYGTZKPJE-UHFFFAOYSA-N
- SMILES
- COc1ccc(c(O)c1OC)-c2c(C)c(nc(c2N)-c3ccc4C(=O)C(OC)=C(N)C(=O)c4n3)C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 1 (100%)
안전 데이터
- wgk
- 3
- rtecs
- TJ7350000
- ridadr
- UN 3462 6.1/PG 1
- 독성
- LD50 oral in mouse: 2330ug/kg
- risk_code
- 28
- hazard_code
- T+
- safety_code
- 53-28-36/37/39-45
- 포장분류
- II
- 위험 등급
- 6.1(a)
- F 고인화성물질
- 10-18
- Hazard Classifications
- Acute Tox. 1 Oral
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
응용 분야
용도Streptonigrin is an unusual aminoquinone with broad biological activity against bacteria, fungi, nematodes, viruses and tumour cells. Streptonigrin acts as a bioreductive agent, highly dependent on interactions with metal ions, notably iron, and plays an important role in free radical production through redox cycling of NAD(P)H:quinone oxidoreductase (NQO1).
공급사42 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
常州市华阳科技有限公司
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