기본 정보
- CAS
168828-58-8- 표준 SMILES
CC(=O)NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1- InChIKey
FNDDDNOJWPQCBZ-ZDUSSCGKSA-N- 분자식
- C16H20FN3O3S
- 평균 분자량
- 353.4 g/mol
- 단동위원소 질량
- 353.12094084
개요
Sutezolid has been used in trials studying the treatment of Tuberculosis.
이름 및 식별자
- 우선 이름
- Sutezolid
- IUPAC
- N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
- 영어명
- PNU 100480
- 분자식
- C16H20FN3O3S
- 분자량
- 353.41
이름 및 동의어
Sutezolid168828-58-8PNU-100480OxazolidininoneU-100480PF-02341272U 100480NSC-7424073A71182L8PU-480DTXSID20168611U100480
이름 더 보기
U-603CS-2604PNU-1603U-101244U-101603PNU 100480PF-2341272
N-{[(5S)-3-[3-FLUORO-4-(THIOMORPHOLIN-4-YL)PHENYL]-2-OXO-1,3-OXAZOLIDIN-5-YL]METHYL}ACETAMIDEACETAMIDE, N-((3-(3-FLUORO-4-(4-THIOMORPHOLINYL)PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)-, (S)-sutezolidumN-(((5S)-3-(3-fluoro-4-(thiomorpholin-4-yl)phenyl)-2-oxo-1,3-oxazolidin-5-yl)methyl)acetamideN-({(5S)-3-[3-Fluoro-4-(thiomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamideU-480 compoundRefChem:890066DTXCID4091102
데이터베이스 식별자
- CAS
168828-58-8- PubChem CID
- 465951
- DTXSID
DTXSID20168611- ChEMBL
CHEMBL288149- UNII
- 3A71182L8P
- EC Number
- 809-216-7
- Nikkaji
- J3.052.265F、J727.962K
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 475
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 186 · 186-187°C
- 끓는 점
- 609 · 609.0±55.0 °C(Predicted)
- 밀도
- 1.321 · 1.321±0.06 g/cm3(Predicted)
- 저장 조건
- room temp
- 용해도
- 20 mg/mL, · DMSO: 용해성20mg/mL, 투명
- 산도 계수 (pKa)
- 15.53 · 15.53±0.46(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
- InChIKey
- FNDDDNOJWPQCBZ-ZDUSSCGKSA-N
- SMILES
- FC1=CC(N(C[C@H](CNC(C)=O)O2)C2=O)=CC=C1N3CCSCC3
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요PNU 100480 is an oxazolidinone antibiotic that is active against multidrug resistant tuberculosis. It inhibits the growth of M. tuberculosis replicating and nonreplicating strains (MIC = ~400 ng/ml for both) and of clinical isolates that are susceptible or resistant to a combination of isoniazid , rifampin (rifampicin; ), ethambutol , and streptomycin (; MICs = ≤0.0625-0.5 mg/L). It also inhibits the growth of P. insidiosum and P. aphanidermatum clinical isolates (MICs = 4-64 μg/ml). PNU 100480 (100 mg/kg per day) decreases the number of colony forming units (CFU) in the lung in a mouse model of systemic nonreplicating M. tuberculosis infection.
용도Sutezolid is an oxazolidinone antibacterial agent analog. Sutezolid is a promising antimycobacterial agent (tuberculostatic).
공급사64 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
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