부펙사막

Bufexamac

HCID 2466CAS 2438-72-4

기본 정보

표준 SMILES
CCCCOc1ccc(CC(=O)NO)cc1
InChIKey
MXJWRABVEGLYDG-UHFFFAOYSA-N
분자식
C12H17NO3
평균 분자량
223.27 g/mol
단동위원소 질량
223.1208434

이름 및 식별자

우선 이름
Bufexamac
IUPAC
2-(4-butoxyphenyl)-N-hydroxyacetamide
현지명
부펙사막
영어명
Bufexamac
분자식
C12H17NO3
분자량
223.27

이름 및 동의어

bufexamac2438-72-42-(4-Butoxyphenyl)-N-hydroxyacetamideBufexamic acidParfenacAndermParadermBufexamacop-Butoxyphenylacetohydroxamic acid4-Butoxy-N-hydroxybenzeneacetamideBufexamacum4-Butoxyphenylacetohydroxamic acid
이름 더 보기
부펙사막j3cp1044feximacmofenardroxaryldroxarolcp1044j3flogicidnorfemac
2-(p-Butoxyphenyl)-acetohydroxamic acidCP 1044 J3Acide p-butoxyphenylacethydroxamiqueDTXSID7045368CP-1044-J3NSC-758153CHEBI:313174T3C38J78L

데이터베이스 식별자

CAS
2438-72-4
PubChem CID
2466
DTXSID
DTXSID7045368
ChEMBL
CHEMBL94394
ChEBI
CHEBI:31317
UNII
4T3C38J78L
EC Number
219-451-1
Nikkaji
J3.390A

물성

구조 계산 물성

XLogP
1.9
극성 표면적
58.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
16

실험 및 물리화학적 성질

Solubility · 2건

Immiscible

>33.5 [ug/mL] (The mean of the results at pH 7.4)

Melting Point153
Collision Cross Section · 2건

161.48 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];158.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

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

물리화학적 성질

녹는점
153 · 153-155°
끓는 점
364.56 °C · 364.56°C (rough estimate)
밀도
1.1223 · 1.1223 (rough estimate)
굴절률
1.53 · 1.5300 (estimate)
저장 조건
-20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도
물에 거의 녹지 않으며, 디메틸포름아미드에 녹고, 에틸 아세테이트와 메탄올에는 약간 녹습니다.

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.;There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).;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.

유해성 정보

Other Safety InformationIMAP assessments - Benzeneacetamide, 4-butoxy-N-hydroxy-: Environment tier I assessment;IMAP assessments - Benzeneacetamide, 4-butoxy-N-hydroxy-: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (33.3%)

안전 데이터

wgk
2
rtecs
AK8280000
독성
LD50 orally in mice, rats: >8, >4 g/kg (Lambelin)
HS 번호
2928.00.2500

화학 및 산업

약리 정보

ATC Code · 4건

M - Musculo-skeletal system;M02 - Topical products for joint and muscular pain;M02A - Topical products for joint and muscular pain;M02AA - Antiinflammatory preparations, non-steroids for topical use;M02AA09 - Bufexamac

M - Musculo-skeletal system;M01 - Antiinflammatory and antirheumatic products;M01A - Antiinflammatory and antirheumatic products, non-steroids;M01AB - Acetic acid derivatives and related substances;M01AB17 - Bufexamac

QM - Musculo-skeletal system;QM02 - Topical products for joint and muscular pain;QM02A - Topical products for joint and muscular pain;QM02AA - Antiinflammatory preparations, non-steroids for topical use;QM02AA09 - Bufexamac

QM - Musculo-skeletal system;QM01 - Antiinflammatory and antirheumatic products;QM01A - Antiinflammatory and antirheumatic products, non-steroids;QM01AB - Acetic acid derivatives and related substances;QM01AB17 - Bufexamac

Protein BindingNo data available.
Pharmacodynamics · 1건

Bufexamac is a topically-active anti-inflammatory agent that inhibits the cyclooxygenase enzyme. In cutaneous and deep experimental inflammation, topical administration of bufexamac exerted a dose-related anti-inflammatory effect. In guinea pigs, bufexamax was shown to be more active than topical acetylsalicylic acid 5% or phenylbutazone 5% in delaying the local increase in temperature resulting from UV exposure. Bufexamac is unlikely to have any effect on wound healing.

Mechanism of Action · 1건

The full mechanism of action is unclear. It is proposed that bufexamac acts similarly to other non-steroidal anti-inflammatory drugs to inhibit prostaglandin biosynthesis _in vitro_, via inhibiting cyclo-oxygenase (COX) enzymes. Systematically administered bufexamac may accumulate preferentially in the adrenal cortex of rats and may play a role in adrenal stimulation; however its topical anti-inflammatory action is likely to be independent of this effect.

Biological Half-LifeNo data available.
Metabolism/MetabolitesNo data available.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >5000;Consumption (g per capita; approx.) in Germany (2009): 0.0611;Excretion rate: 0.845;Calculated removal (%): 76
Use ClassificationPharmaceuticals
응용 분야 · 1건

용도Bufexamac is a specific inhibitor of class IIB histone deacetylases (HDAC6 and HDAC10). Bufexamac is a non-steroidal anti-inflammatory drug used topically as well as rectally. Formulations containing Bufexamac is used by many patients with eczematous disorders as an alternative to topical corticosteroids.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

추가 설명

정의ChEBI: A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties.

관련 반응

1건

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