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Carprofen

HCID 2581
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
53716-49-7
표준 SMILES
CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIKey
PUXBGTOOZJQSKH-UHFFFAOYSA-N
분자식
C15H12ClNO2
평균 분자량
273.71 g/mol
단동위원소 질량
273.0556563

개요

Carprofen is propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a photosensitizing agent. It is an organochlorine compound and a member of carbazoles.

이름 및 식별자

우선 이름
Carprofen
IUPAC
2-(6-chloro-9H-carbazol-2-yl)propanoic acid
영어명
Carprofen
분자식
C15H12ClNO2
분자량
273.71

이름 및 동의어

carprofen53716-49-72-(6-Chloro-9H-carbazol-2-yl)propanoic acidRimadylCarprofeno6-Chloro-alpha-methyl-9H-carbazole-2-acetic acidCarprofeneCarprofenumCarprodyl6-Chloro-alpha-methylcarbazole-2-acetic acidRo 20-5720/000DTXSID1045871
이름 더 보기
rac Carprofenc5720imadylRidamylCarolinekanujofen
Ro-20-5720/000Rimadyl Caplets(+-)-6-Chloro-alpha-methylcarbazole-2-acetic acidCarprofen for veterinary useFFL0D546HONSC-2979352-(6-Chloro-9H-carbazol-2-yl)-propionic acidRimadyl Chewable Tablets

데이터베이스 식별자

CAS
53716-49-7
PubChem CID
2581
DTXSID
DTXSID1045871
ChEMBL
CHEMBL1316
ChEBI
CHEBI:364453
UNII
FFL0D546HO
EC Number
258-712-4
Nikkaji
J68.117B

물성

구조 계산 물성

XLogP
4
극성 표면적
53.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
19
형식 전하
0
복잡도
362

실험 및 물리화학적 성질

LogP · 2건

3.8

4.04

Solubility · 3건

Practically insoluble at 25 °C

3.79e-03 g/L

>41.1 [ug/mL] (The mean of the results at pH 7.4)

Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal Drugs · 4건

EMA approved medicines: Veterinary medicine

Active Ingredients (Carprofen) -> FDA Greenbook

Pharmaceuticals -> UK Veterinary Medicines Directorate List

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

Melting Point · 2건

195-199

197.5 °C

Physical DescriptionSolid
Collision Cross Section · 2건

156.1 Ų [M+H]+ [CCS Type: TW]

161.46 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
186 · 186-1880C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Danger

H301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationCarprofen: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl-, (.+-.)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (98%)

안전 데이터

wgk
3
rtecs
FE3180000
ridadr
UN 2811
독성
LD50 orally in mice: 400 mg/kg (Berger, Corraz)
HS 번호
29339900
risk_code
25-36/37/38-20/21/22
hazard_code
T,Xn
safety_code
45-36-26
포장분류
III
위험 등급
6.1
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 CodeQM - Musculo-skeletal system
Protein BindingHigh (99%)
Pharmacodynamics · 1건

Carprofen is a non-steroidal anti-inflammatory drug (NSAID) of the propionic acid class that includes ibuprofen, naproxen, and ketoprofen. It is no longer used in the clinical setting, but is approved for use in dogs. Carprofen is non-narcotic and has characteristic analgesic and antipyretic activity approximately equipotent to indomethacin in animal models.

Mechanism of Action · 1건

The mechanism of action of carprofen, like that of other NSAIDs, is believed to be associated with the inhibition of cyclooxygenase activity. Two unique cyclooxygenases have been described in mammals. The constitutive cyclooxygenase, COX-1, synthesizes prostaglandins necessary for normal gastrointestinal and renal function. The inducible cyclooxygenase, COX-2, generates prostaglandins involved in inflammation. Inhibition of COX-1 is thought to be associated with gastrointestinal and renal toxicity while inhibition of COX-2 provides anti-inflammatory activity. In an <i>in vitro</i> study using canine cell cultures, carprofen demonstrated selective inhibition of COX-2 versus COX-1.

Biological Half-LifeApproximately 8 hours (range 4.5&ndash;9.8 hours) in dogs.
Metabolism/MetabolitesHepatic.
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.

Drugs that are pharmacologically inactive but when exposed to ultraviolet radiation or sunlight are converted to their active metabolite to produce a beneficial reaction affecting the diseased tissue. These compounds can be administered topically or systemically and have been used therapeutically to treat psoriasis and various types of neoplasms.

관련 반응

4건
반응 기록 만들기
HRID 26361 반응식
HRID 26361반응물로uspto-grants-1979_04
HRID 298370 반응식
HRID 298370생성물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 444384 반응식
HRID 444384생성물로uspto-grants-1981_04
HRID 1447751 반응식
HRID 1447751반응물로uspto-grants-1979_12

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
끓는 점
509.1 · 509.1±35.0 °C(Predicted)
밀도
1.2011 · 1.2011 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
저장 조건
2 · Sealed in dry,2-8°C
용해도
20 mg/mL, · DMSO: 용해성20mg/mL, 투명
물리적 상태
가루
산도 계수 (pKa)
4.84 · 4.84±0.30(Predicted)
색상
흰색에서 베이지색
Merck
14 · 14,1862
주요 응용
법의학 및 독성학의약품(소분자)
InChI
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)
InChIKey
PUXBGTOOZJQSKH-UHFFFAOYSA-N
SMILES
N1C2=C(C=C(Cl)C=C2)C2=C1C=C(C(C)C(O)=O)C=C2
EPA
9 H-Carbazole-2-acetic · 9H-Carbazole-2-acetic acid, 6-chloro-.alpha.-methyl- (53716-49-7)

화학적 성질

Off-White Crystalline Solid

Absorption, Distribution and ExcretionRapidly and nearly completely absorbed (more than 90% bioavailable) when administered orally.
Cellular LocationsCytoplasm
Metabolite PathwaysCarprofen Action Pathway

용도 및 제조

Use Classification · 2건

Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

응용 분야 · 2건

개요Carprofen is a non-steroidal anti-inflammatory drug (NSAID) commonly used in animals to combat pain and inflammation, particularly as associated with osteoarthritis. Like many NSAIDs, carprofen inhibits both cyclooxygenases COX-1 and COX-2 (IC50s = 22.3 and 3.9 μM, respectively). It also inhibits fatty acid amide hydrolase (IC50 = 74 μM), blocking the metabolism of the cannabinoid receptor ligand, arachidonoyl ethanolamide .

용도Carprofen is a non steroidal anti-inflammatory that is used by veterinarians for the relief of arthritic systems in dogs. It can be used for joint pain or post operative inflammation. Carprofen, is al so used for the relief from pain and inflammation associated with osteoarthritis, hip dysplasia and other joint issues.

상·하류 제품 정보

상류 원료

수산화나트륨사염화-1,4-벤조퀴논염산9H-Carbazole-2-acetic acid, 6-chloro-α-methylene-Ethanone,1,1'-(9H-carbazole-2,9-diyl)bis-카르프로펜에틸에스테르(카르프로펜불순물)9H-Carbazole-2-acetic acid, 6-chloro-a-Methyl-, Methyl ester4-나이트로아닐린

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
河北缤享新材料科技有限公司+8618633865755 · [email protected]
西安泽邦生物科技有限公司[email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
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上海湄水化工科技有限公司021-60549325 18616193163
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
武汉森威尔世纪化工有限公司027-86652399 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
西安天广源生物科技有限公司+86-029-86333380 +86-18829239519 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
추가 설명 · 1건

정의ChEBI: Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs.