Piperacillin

HCID 43672CAS 61477-96-1

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

piperacillin61477-96-1Piperacillin anhydrousPiperacillinePiperacilinaPeracinPiperacillinaPiperacillinumPIPCCHEBI:8232Pipercillin(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
이름 더 보기
PIPERACILLIN SODIUMPipracil(2S,5R,6R)-6-[[(2R)-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-((R)-2-(4-ethyl-2,3-dioxopiperazine-1-carboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid hydrate4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(2R)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]aMino]-2-phenylacetyl]aMino]-3,3-diMethyl-7-oxo-,(2S,5R,6R)-C14034Pipraci
(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid9I628532GXDTXSID2023482AB Piperacillin4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-(2S,5R,6R)-6-[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-6-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid monohydrate

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

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Pharmaceuticals
Drugs · 4건

Pharmaceuticals -> Antibiotics

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Used in Switzerland

Pharmaceuticals -> Antibiotics

LogP0.3
Solubility1.19e-01 g/L
Human DrugsBreast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antibacterial Agents; Penicillins
Physical Description · 2건

White to off-white solid; [Bristol-Myers Squibb]

Solid

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)
화학적 성질 · 1건

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 · 4건

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

Regulatory InformationStatus: Active Update: 15-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27459
Other Safety InformationIMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-: Environment tier I assessment
Hazards SummaryA dermal and respiratory sensitizer; [Bristol-Myers Squibb] Occupational asthma confirmed in a pharmaceutical worker; [Malo] Causes contact urticaria; [Kanerva, p. 219]
Hazard Classes and CategoriesSkin Sens. 1 (93.8%)

독성 정보

Hepatotoxicity · 1건

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.

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.
Drug Induced Liver Injury · 5건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

piperacillin

DILI Negative

Intravenous

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

risk_code
42/43
hazard_code
Xi
safety_code
36/37

화학 및 산업

약리 정보

ATC Code · 3건

J01CR05

J - Antiinfectives for systemic use

QJ - Antiinfectives for systemic use

Pharmacodynamics · 1건

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 · 1건

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.

Biological Half-Life36-72 minutes
Metabolism/MetabolitesLargely not metabolized.
FDA Pharmacological Classification · 5건

9I628532GX

PIPERACILLIN ANHYDROUS

Established Pharmacologic Class [EPC] - Penicillin-class Antibacterial

Chemical Structure [CS] - Penicillins

Piperacillin anhydrous is a Penicillin-class Antibacterial.

용도 및 제조

Uses · 2건

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.

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
추가 설명 · 1건

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-).

관련 반응

3건

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