기본 정보
- CAS
33005-95-7- 표준 SMILES
CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1- InChIKey
GUHPRPJDBZHYCJ-UHFFFAOYSA-N- 분자식
- C14H12O3S
- 평균 분자량
- 260.31 g/mol
- 단동위원소 질량
- 260.05071541
개요
Tiaprofenic acid is an aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. It has a role as a non-steroidal anti-inflammatory drug and a drug allergen. It is a monocarboxylic acid, a member of thiophenes and an aromatic ketone.
이름 및 식별자
- 우선 이름
- Tiaprofenic Acid
- IUPAC
- 2-(5-benzoylthiophen-2-yl)propanoic acid
- 영어명
- Tiaprofenic acid
- 분자식
- C14H12O3S
- 분자량
- 260.31
이름 및 동의어
tiaprofenic acid33005-95-7Surgam2-(5-benzoylthiophen-2-yl)propanoic acidTiaprofensaeureAcido tiaprofenicotiaprofenAcide tiaprofenique5-Benzoyl-alpha-methyl-2-thiopheneacetic acidAcidum tiaprofenicum2-(5-Benzyl-2-thienyl)propionsaeureFC 3001
이름 더 보기
TiaprofenicSuralganSurgam SATiaprofenicAci
RU 15060TiaprofenateDTXSID5023665alpha-methyl-5-benzoyl-2-thienylacetic acid1LS1T6R34CRU-15060CHEBI:322215-benzoyl-alpha-methylthiophene-2-acetic acid
데이터베이스 식별자
- CAS
33005-95-7- PubChem CID
- 5468
- DTXSID
DTXSID5023665- ChEMBL
CHEMBL365795- ChEBI
CHEBI:32221- UNII
- 1LS1T6R34C
- EC Number
- 251-329-3
- Nikkaji
- J3.176C
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 82.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 323
실험 및 물리화학적 성질
DrugsPharmaceuticals
LogP2.86
Solubility3.24e-02 g/L
Human DrugsPharmaceuticals
Melting Point96 °C
Physical DescriptionSolid
Collision Cross Section155.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
물리화학적 성질
- 녹는점
- 96 ° · 96° (isopropyl ether)
- 끓는 점
- 373.57 °C · 373.57°C (rough estimate)
- 밀도
- 1.2959 · 1.2959 (rough estimate)
- 굴절률
- 1.505 · 1.5050 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- 물에는 거의 녹지 않으며, 아세톤, 에탄올(96%) 및 염화메틸렌에는 잘 녹습니다.
- 산도 계수 (pKa)
- 4.05 · 4.05±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (88.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (88.9%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Tiaprofenic acid
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- wgk
- WGK 3
- rtecs
- XM7580000
- ridadr
- UN 2811 6.1/PG III
- HS 번호
- 2934.99.3000
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-02769
- Hazard Classifications
- Acute Tox. 3 OralRepr. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
Pharmacodynamics
Tiaprofenic acid is a non-steroidal anti-inflammatory drug of the arylpropionic acid (profen) class, used to treat pain, especially arthritic pain. The typical adult dose is 300mg twice daily. This drug is not recommended for use in the pediatric population.
Mechanism of Action
Tiaprofenic acid belongs to a group of medicines called non-steroidal anti-inflammatory drugs (NSAIDs). It works by blocking the production of a chemical (prostaglandin) which the body produces in response to injury or certain diseases. This prostaglandin would otherwise go on to cause swelling, pain and inflammation.
Biological Half-Life1.5-2.5 hours
Metabolism/MetabolitesHepatic (10%). Sparingly metabolised in the liver to two inactive metabolites.
MeSH Pharmacological Classification
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.
Absorption, Distribution and ExcretionBioavailability is 90% following oral administration.
Cellular LocationsCytoplasm
Metabolite PathwaysTiaprofenic Acid Action Pathway
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