Pranoprofen (HCID 4888)

개요

Pranoprofen is a pyridochromene.

이름 및 식별자

우선 이름: Pranoprofen
IUPAC: 2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acid
영어명: Pranoprofen
분자식: C15H13NO3
분자량: 255.27

이름 및 동의어

pranoprofen52549-17-4pyranoprofenPranoprofenoPranoprofenePranoprofenumElicapricDTXSID1023497NSC-7598322R7O1ET613DTXCID603497alpha-Methyl-5H-(1)benzopyrano(2,3-b)pyridine-7-acetic acid

이름 더 보기

Y 8004CesflanOftalarPralofenPraprofenranoprofen

(+-)-PranoprofenRefChem:868380S01BC09(2RS)-2-(10H-9-Oxa-1-azaanthracen-6-yl)propanoic acidNiflan2-(5H-chromeno[2,3-b]pyridin-7-yl)propanoic acidY-80042-(5H-[1]-Benzopyrano[2,3-b]pyridin-7-yl)propionic Acid

데이터베이스 식별자

CAS: 52549-17-4
PubChem CID: 4888
DTXSID: DTXSID1023497
ChEMBL: CHEMBL367463
ChEBI: CHEBI:32040
UNII: 2R7O1ET613
EC Number: 682-035-7
Nikkaji: J9.293B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 346

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 182 · 182-183°
끓는 점: 398.5 °C · 398.5°C (rough estimate)
밀도: 1.1654 · 1.1654 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 4.27 · 4.27±0.10(Predicted)
물리적 상태: 가루
색상: 흰색에서 베이지색
InChI: InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)
InChIKey: TVQZAMVBTVNYLA-UHFFFAOYSA-N
SMILES: C(C1C=CC2OC3=NC=CC=C3CC=2C=1)(C)C(=O)O

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

Pranoprofen

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk: WGK 1
rtecs: DJ3100950
ridadr: UN 2811 6.1 / PGIII
독성: LD50 in male mice, rats (mg/kg): 447.3, 87.3 orally (Edanaga)
기존화학 물질: KE-23489
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

ATC Code · 3건

S01BC09

S - Sensory organs

QS - Sensory organs

Mechanism of ActionPranoprofen is a cyclo-oxygenase inhibitor.

MeSH Pharmacological Classification · 2건

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Agents that increase uric acid excretion by the kidney (URICOSURIC AGENTS), decrease uric acid production (antihyperuricemics), or alleviate the pain and inflammation of acute attacks of gout.

Cellular LocationsMembrane