피파사이클린
Pipacycline
기본 정보
- CAS
1110-80-1- 표준 SMILES
CN(C)[C@@H]1C(=O)C(C(=O)NCN2CCN(CCO)CC2)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12- InChIKey
RAUQZDNDLCIQFJ-REHNUXHNSA-N- 분자식
- C29H38N4O9
- 평균 분자량
- 586.6 g/mol
- 단동위원소 질량
- 586.2638788
개요
Pipacycline is tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. It has a role as an antimicrobial agent. It is a tertiary alpha-hydroxy ketone, a member of tetracyclines and a N-alkylpiperazine. It is a conjugate base of a pipacycline(1+).
이름 및 식별자
- 우선 이름
- Pipacycline
- IUPAC
- (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
- 현지명
- 피파사이클린
- 영어명
- pipacycline
- 분자식
- C29H38N4O9
- 분자량
- 586.638
이름 및 동의어
PipacyclineMepicycline1110-80-1PipaciclinaPipacycline [INN]PipacyclinumSieromicinMepiciclinaValtomicinaValtomycinN-((4-(2-Hydroxyethyl)-1-piperazinyl)methyl)tetracyclineAmbraveine
이름 더 보기
피파사이클린PipaciclineTetrasolvina(4S)-4β-Dimethylamino-1,4,4aβ,5,5aβ,6,11,12a-octahydro-3,6α,10,12,12aβ-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-2-naphthacenecarboxamide2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-
N-(4-(beta-Hydroxyethyl)diethylenediamino-1-methyl)tetracyclinePQ3P6082I5NSC-69335(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamideAmbra-venaPipacyclinum [INN-Latin]Pipaciclina [INN-Spanish]EINECS 214-176-3
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 194 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 끓는 점
- 895.8 · 895.8±65.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- LD50 i.v. in white mice: 188 mg/kg (Scalvini, Delmonte)
화학 및 산업
응용 분야
용도Pipacycline (mepicycline) is a semi-synthetic tetracycline formed by a Mannich condensation of formaldehyde and 4-hydroxyethylpiperazine with tetracycline. The introduction of the piperazine improves bioavailability, but Mannich bases are pro-drugs, converting back to the parent compound. Pipacycline is used commercially as a salt in combination with penicillin V for parenteral use (penimepicycline). The intrinsic in vitro activity and SARs for the amide region of the tetracycline molecule have not investigated extensively. Pipacycline has not been extensively cited in the literature.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: Tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…