기본 정보
- CAS
19562-30-2- 표준 SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21- InChIKey
RCIMBBZXSXFZBV-UHFFFAOYSA-N- 분자식
- C14H16N4O3
- 평균 분자량
- 288.3 g/mol
- 단동위원소 질량
- 288.12224039
개요
Piromidic acid is a pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, substituted at position 2 by a pyrrolidin-1-yl group and at position 8 by an ethyl group. A synthetic antibacterial which is used for the treatment of urinary tract and intestinal infections. It has a role as an antibacterial drug and a DNA synthesis inhibitor. It is a monocarboxylic acid, a member of pyrrolidines, a pyridopyrimidine, a tertiary amino compound and a quinolone antibiotic.
이름 및 식별자
- 우선 이름
- Piromidic Acid
- IUPAC
- 8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
- 현지명
- 피로미딕산
- 영어명
- Piromidic acid
- 분자식
- C14H16N4O3
- 분자량
- 288.3
이름 및 동의어
piromidic acid19562-30-2BactramylPanacidReelonSepturalAcido piromidicoAcide piromidiqueActrun CGastrurolUropirAcidum piromidicum
이름 더 보기
피로미딕산pd93PuriMpirodalenterolPirudallidinyl)-
PD-93PiromidateDTXSID40454243I12WH4EWFNSC-291120Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-pyrrolidinyl)-DTXCID2025424CHEBI:32019
데이터베이스 식별자
- CAS
19562-30-2- PubChem CID
- 4855
- DTXSID
DTXSID4045424- ChEMBL
CHEMBL311350- ChEBI
CHEBI:32019- UNII
- 3I12WH4EWF
- EC Number
- 243-161-4、419-730-1
- Nikkaji
- J3.146A
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 86.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 473
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
Human DrugsPharmaceuticals
Collision Cross Section161.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 314 · 314-316°
- 끓는 점
- 430.54 °C · 430.54°C (rough estimate)
- 밀도
- 1.1895 · 1.1895 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 0 · 0-6°C
- 용해도
- Chloroform (Slightly, Heated, Sonicated), Ethanol (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.14 · 4.14±0.20(Predicted)
- 색상
- 3 · etoh/chcl3에서 추출한 크리스탈이다
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Regulatory InformationREACH registered substance: ENTEROL (EC: 419-730-1)
Hazard Classes and CategoriesNot Classified
안전 데이터
- 독성
- LD50 in male, female mice, male, female rats (mg/kg): 287, 268, 177, 158 i.v.; all >4000 orally, s.c. and i.p. (Shimizu)
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Substances capable of killing agents causing urinary tract infections or of preventing them from spreading.
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
개요Piromidic acid is a quinolone antibiotic that is active against Gram-positive and Gram-negative bacteria including S. aureus and E. coli (MICs = 10 and 1 μg/ml, respectively). It inhibits growth of nalidixic acid-sensitive strains of E. coli in an in vitro model of bacterial cystitis when used at concentrations of 10 and 50 mg/L. Piromidic acid also has antimalarial properties and is active against chloroquine-sensitive and -resistant strains of P. falciparum in vitro (IC50s = 41.4 and 14.4 μg/ml, respectively) as well as against hepatic stages of P. yoelii yoelii (IC50 = 21.6 μg/ml).
용도Piromidic acid is a quinolone antibacterial.
상·하류 제품 정보
상류 원료
관련 반응
1건
화합물 노트
불러오는 중…