Oxaprozin

3-(4,5-Diphenyloxazol-2-yl)propanoic acid · CB1272505 · OXAPROZINE · DAYPRO · 3-(diphenyl-1,3-oxazol-2-yl)propanoic acid · Alvo · Oxapro · Durapro

https://huagongshe.com/ko/chemical/4614

식별자 및 물리적 특성

CAS No.	21256-18-8
분자식	C18H15NO3
평균 분자량	293.3 g/mol
단동위원소 질량	293.10519334 g/mol
SMILES	O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIKey	OFPXSFXSNFPTHF-UHFFFAOYSA-N
PubChem CID	4614
ChEMBL	CHEMBL1071
ChEBI	CHEBI:7822
EC No.	244-296-1
DTXSID	DTXSID1045118

화학 및 물리적 성질

XLogP	4.2
극성 표면적	63.3
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	5
무거운 원자 수	22
형식 전하	0
복잡도	361
LogP(분배 계수)	4.19log Kow = 4.193.7
Color/Form	Crystals from methanol
용해도	InsolubleSlightly soluble in alcohol. Insoluble in water3.25e-02 g/LDMSO에 용해됨
Decomposition	When heated to decomposition it emits toxic fumes of /Nitrogen oxide/.
녹는점	158-159 °C160.5 to 161.5 °C158 - 159 °C154 °C
Physical Description	Solid
Dissociation Constants	4.3pKa = 4.3
Collision Cross Section	169.7 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]176 Å² [M+Na]+ [CCS Type: TW160.98 Å² [M+H-H2O]+ [CCS Type: TW168.56 Å² [M+H]+ [CCS Type: TW
끓는 점	435.17°C (rough estimate)
밀도	1.2278 (rough estimate)
굴절률	1.5100 (estimate)
저장 조건	2-8°C
pKa(산도 계수)	4.3(at 25℃)
물리적 상태	고체
색상	메탄올에서 얻은 결정체
용해도	4mg/L(37℃)
Merck	14,6924
BCS Class	2
안정성	제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO 용액은 -20°C에서 최대 3개월 동안 보관할 수 있습니다.
주요 응용	의약품(소분자)
InChI	1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
InChIKey	OFPXSFXSNFPTHF-UHFFFAOYSA-N
SMILES	OC(=O)CCc1nc(-c2ccccc2)c(o1)-c3ccccc3
EPA	2-Oxazolepropanoic acid, 4,5-diphenyl- (21256-18-8)

화학적 성질

White Solid

안전 및 규제

GHS 분류	WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H412 (25%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H413 (25%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl oxaprozin, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and Categories	Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2 (25%)Aquatic Chronic 2 (25%)Aquatic Chronic 4 (25%)
보관 조건	Store below 30 °C (86 °F), preferably between 15 and 30 °C (59 and 86 °F), in a tight, light-resistant container, unless otherwise specified by manufacturer. Note: Protect unit-dose packages from light.
처리 방법	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

용도

개요

Oxaprozin is a non-steroidal antiinflammatory agent indicated for use in various forms of rheumatoid arthritis, osteoarthritis, and ankylosing spondylitis. A long T1/2 allows once/twice daily dosing. Structurally it is somewhat unique, being a 3- substituted, rather than a 2-substituted propionic acid.

용도

Oxaprozin is an anti-inflammatory drug. Oxaprozin was comparable to Aspirin (A687780).

일반 설명

Oxaprozin, 4,5-diphenyl-2-oxazolepropionic acid (Daypro),differs from the other members of this group in being anarylpropionic acid derivative. It shares the same propertiesand side effects of other members in this group. It is indicatedfor the short- and long-term management of OA andRA, administered as a once-daily dose of 600- to 1,200-mgdose because of its long duration of action.