기본 정보
- 표준 SMILES
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O- InChIKey
IVBHGBMCVLDMKU-GXNBUGAJSA-N- 분자식
- C23H27N5O7S
- 평균 분자량
- 517.6 g/mol
- 단동위원소 질량
- 517.1631192
개요
Piperacillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a piperacillin(1-).
이름 및 식별자
- 우선 이름
- Piperacillin
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- 영어명
- Piperacillin
- 분자식
- C23H27N5O7S
- 분자량
- 517.55
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
61477-96-1、66258-76-2- PubChem CID
- 43672
- DTXSID
DTXSID2023482- ChEMBL
CHEMBL702- ChEBI
CHEBI:8232- UNII
- 9I628532GX
- EC Number
- 262-811-8
- Nikkaji
- J18.442J
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 182 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 982
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals -> Antibiotics
Physical Description
White to off-white solid; [Bristol-Myers Squibb]
Solid
Collision Cross Section
227.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
222.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
221.26 Ų [M-H]-
물리화학적 성질
- 녹는점
- 183 · 183-185C (dec.)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 0.119 mg/mL의 · 메탄올에 자유롭게 용해됩니다. 0.119 mg/mL의 수용액에는 난용성입니다.
- 산도 계수 (pKa)
- 2.44 · 2.44±0.50(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 수용성
- 256.8 mg/L · 256.8mg/L at 20℃
- 안정성
- 흡습성
- InChIKey
- IVBHGBMCVLDMKU-GXNBUGAJSA-N
- SMILES
- N12[C@@]([H])([C@H](NC([C@H](NC(N3CCN(CC)C(=O)C3=O)=O)C3=CC=CC=C3)=O)C1=O)SC(C)(C)[C@@H]2C(O)=O
- LogP
- -1.55 at · -1.55 at 20℃
화학적 성질
White Crystalline Solid; odorless; slightly hygroscopic. It is easily soluble in methanol, soluble in absolute ethanol or acetone, and very slightly soluble in water. It is a semi-synthetic penicillin antibiotic with broad-spectrum antibacterial effect.
안전 및 규제
GHS 분류
GHS Classification
Danger
H317 (93.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 16 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
독성 정보
Hepatotoxicity
Patients on intravenous piperacillin may have transient and mild-to-moderate serum aminotransferase elevations in up to 12% of patients, but these are of little clinical significance and not more common than with comparative parenteral antibiotics. Hepatic injury was more commonly reported with mezlocillin, a related extended spectrum ureidopenicillin which has been withdrawn from use. Rare instances of idiosyncratic liver injury have been reported in persons receiving piperacillin. The liver injury is typically cholestatic arising within 1 to 6 weeks of starting therapy. The injury can be severe, but is generally self-limited once piperacillin is stopped. The features of the hepatotoxicity resemble those of other penicillins. The cholestatic hepatitis caused by piperacillin and other penicillins can be prolonged and lead to persistent cholestasis (vanishing bile duct syndrome) or persistent elevations in serum alkaline phosphatase suggestive of partial bile duct loss. Most cases of liver injury related to piperacillin are linked to the combination of piperacillin with the beta-lactamase inhibitor tazobactam (Zosyn and generics), which is more commonly used than piperacillin alone.
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
piperacillin
DILI Negative
Intravenous
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- risk_code
- 42/43
- hazard_code
- Xi
- safety_code
- 36/37
화학 및 산업
약리 정보
ATC Code
J01CR05
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Pharmacodynamics
Piperacillin is a penicillin beta-lactam antibiotic used in the treatment of bacterial infections caused by susceptible, usually gram-positive, organisms. The name "penicillin" can either refer to several variants of penicillin available, or to the group of antibiotics derived from the penicillins. Piperacillin has <i>in vitro</i> activity against gram-positive and gram-negative aerobic and anaerobic bacteria. The bactericidal activity of Piperacillin results from the inhibition of cell wall synthesis and is mediated through Piperacillin binding to penicillin binding proteins (PBPs). Piperacillin is stable against hydrolysis by a variety of beta-lactamases, including penicillinases, and cephalosporinases and extended spectrum beta-lactamases.
Mechanism of Action
By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Piperacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Piperacillin interferes with an autolysin inhibitor.
FDA Pharmacological Classification
9I628532GX
PIPERACILLIN ANHYDROUS
Established Pharmacologic Class [EPC] - Penicillin-class Antibacterial
Chemical Structure [CS] - Penicillins
Piperacillin anhydrous is a Penicillin-class Antibacterial.
Absorption, Distribution and Excretion
Not absorbed following oral administration.
As with other penicillins, PIPRACIL is eliminated primarily by glomerular filtration and tubular secretion; it is excreted rapidly as unchanged drug in high concentrations in the urine. Because PIPRACIL is excreted by the biliary route as well as by the renal route, it can be used safely in appropriate dosage in patients with severely restricted kidney function.
101 mL/kg [intravenous administration of 50 mg/kg (5-minute infusion) in neonates]
32 - 41 mL/min/1.73 m2
용도 및 제조
Uses
A beta-lactam antibiotic; [Bristol-Myers Squibb]
Use (kg) in Switzerland (2009): >1000
응용 분야
용도Piperacillin is a semisynthetic penicillin with wide spectrum of antimicrobial activity, particularly pseudomonas strains. It is used to treat moderate-to-severe infections due to susceptible organisms.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: Piperacillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a piperacillin(1-).
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