Sulopenem
기본 정보
- CAS
120788-07-0- 표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@](=O)C3)S[C@H]12- InChIKey
FLSUCZWOEMTFAQ-PRBGKLEPSA-N- 분자식
- C12H15NO5S3
- 평균 분자량
- 349.5 g/mol
- 단동위원소 질량
- 349.0112361
개요
Sulopenem is a penem antibacterial. It is marketed as the prodrug [sulopenem etzadroxil] in combination with [probenecid].
이름 및 식별자
- 우선 이름
- Sulopenem
- IUPAC
- (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
- 영어명
- Sulopenem
- 분자식
- C12H15NO5S3
- 분자량
- 349.45
이름 및 동의어
Sulopenem120788-07-0CP-70429CP-70,429XX514BJ1XW(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidDTXSID20869656sulopenemumsulopenem etzadroil(5R,6S)-6-((1R)-1-hydroxyethyl)-7-oxo-3-((1R,3S)-1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acidRefChem:889995DTXCID30824291
이름 더 보기
ThiopenemCP-65207-SSulopenem USP/EP/BP(S)-3-[[(5R)-2-Carboxy-6β-[(R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]tetrahydrothiophene 1-oxide(5R,6S)-6-((R)-1-hydroxyethyl)-3-(((1R)-1-oxidotetrahydrothiophen-3-yl)thio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-[[(1R,3S)-tetrahydro-1-oxido-3-thienyl]thio]-, (5R,6S)-
CP-070429(1R,3S)-3-(((5R,6S)-2-carboxy-6-((1R)-1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-2-en-3-yl)sulfanyl)thiolan-1-ium-1-olateC12H15NO5S3Sulopenem [WHO-DD]SULOPENEM [INN]Sulopenem (USAN/INN)SULOPENEM [USAN]SCHEMBL2256409
데이터베이스 식별자
- CAS
120788-07-0- PubChem CID
- 9950244
- DTXSID
DTXSID20869656- ChEMBL
CHEMBL1908305- UNII
- XX514BJ1XW
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 563
실험 및 물리화학적 성질
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Carbapenems
물리화학적 성질
- 끓는 점
- 693.1 · 693.1±55.0 °C(Predicted)
- 밀도
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 3.88 · 3.88±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- White to yellow
- InChI
- InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1
- InChIKey
- FLSUCZWOEMTFAQ-PRBGKLEPSA-N
- SMILES
- N12[C@@]([H])([C@@H]([C@H](O)C)C1=O)SC(S[C@H]1CC[S@@](=O)C1)=C2C(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
화학 및 산업
응용 분야
개요Sulopenem is a parenteral penem that demonstrates high activity against Gram-positive, Gram-negative, and anaerobic bacteria. Since it is stable in relation to renal dehydropeptidase I, it does not require concomitant administration of an inhibitor of this enzyme.
용도Sulopenem is a β-Lactamase inhibitor which is used in treatment of microbial infections. It is an important reagent for many drugs synthesized against bacterial infections.
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