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프레드니카베이트

Prednicarbate

HCID 6714002
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
73771-04-7
표준 SMILES
CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
FNPXMHRZILFCKX-KAJVQRHHSA-N
분자식
C27H36O8
평균 분자량
488.6 g/mol
단동위원소 질량
488.2410181

개요

Prednicarbate is a corticosteroid hormone.

이름 및 식별자

우선 이름
Prednicarbate
IUPAC
[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
현지명
프레드니카베이트
영어명
Prednicarbate
분자식
C27H36O8
분자량
488.57

이름 및 동의어

PREDNICARBATE73771-04-7DermatopHoe-777Hoe 777PrednicarbatoDermatop E emollientPrednicarbatumDTXSID9045502V901LV1K7DS-770777LAS189961
이름 더 보기
프레드니카베이트RegemtRegenitPrednitopUNII-V901LV1K7DPrednicarbate CRSPrednicarbate, >=98%
LAS-189961NSC-760042[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoateDTXCID7025502S 77 0777S-77 0777S-77-0777LAS-41003 COMPONENT PREDNICARBATE

데이터베이스 식별자

CAS
73771-04-7
PubChem CID
6714002
DTXSID
DTXSID9045502
ChEMBL
CHEMBL1200386
ChEBI
CHEBI:135791
UNII
V901LV1K7D
EC Number
277-590-3

물성

구조 계산 물성

XLogP
4.2
극성 표면적
116 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
35
형식 전하
0
복잡도
982

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP2.9
Human Drugs · 3건

Breast Feeding; Lactation; Corticosteroids, Topical

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

물리화학적 성질

녹는점
110 · 110-112°; mp 183°
끓는 점
640.7 · 640.7±55.0 °C(Predicted)
밀도
1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건
Refrigerator
용해도
물에는 거의 녹지 않으며, 아세톤과 에탄올(96%)에는 잘 녹고, 프로필렌 글리콜에는 거의 녹지 않습니다. 다형성(5.9)을 보여줍니다.
산도 계수 (pKa)
14.05 · 14.05±0.70(Predicted)
물리적 상태
Solid
색상
흰색에서 황백색까지
InChIKey
FNPXMHRZILFCKX-IVRISGIPNA-N
SMILES
[C@@]1(OC(=O)OCC)(C(=O)COC(=O)CC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C |&1:0,17,19,29,31,33,36,r|

화학적 성질

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 42.9% (3 of 7) of reports.

Danger

H360 (14.3%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 1B (14.3%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

HS 번호
2937290000

화학 및 산업

약리 정보

ATC Code · 2건

D - Dermatologicals

QD - Dermatologicals

Pharmacodynamics · 1건

Corticosteroids diffuse across cell membranes and complex with specific cytoplasmic receptors. These complexes then enter the cell nucleus, bind to DNA (chromatin), and stimulate transcription of messenger RNA (mRNA) and subsequent protein synthesis of various inhibitory enzymes responsible for the anti-inflammatory effects of topical corticosteroids. These anti-inflammatory effects include inhibition of early processes such as edema, fibrin deposition, capillary dilatation, movement of phagocytes into the area, and phagocytic activities. Later processes, such as capillary production, collagen deposition, and keloid formation also are inhibited by corticosteroids.

Mechanism of Action · 1건

In common with other topical corticosteroids, prednicarbate has anti-inflammatory, antipruritic, and vasoconstrictive properties. In general, the mechanism of the anti-inflammatory activity of topical steroids is unclear. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2.

Metabolism/MetabolitesPrimarily in skin
FDA Pharmacological Classification · 5건

V901LV1K7D

PREDNICARBATE

Established Pharmacologic Class [EPC] - Corticosteroid

Mechanisms of Action [MoA] - Corticosteroid Hormone Receptor Agonists

Prednicarbate is a Corticosteroid. The mechanism of action of prednicarbate is as a Corticosteroid Hormone Receptor Agonist.

MeSH Pharmacological Classification · 2건

Substances that reduce or suppress INFLAMMATION.

A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system.

관련 반응

0건
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현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Nikkaji
J12.640C

White or almost white, crystalline powder.

Absorption, Distribution and ExcretionAbsorbed systemically across the stratum corneum.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >100
응용 분야 · 3건

개요Prednicarbate is a potent topical antiinflammatory agent with minimal systemic effects. It is useful in the treatment of cutaneous inflammatory disorders such as eczema and psoriasis.

용도Topical anti-inflammatory agent. Glucocorticoid. Prednicarbate (Dermatop E) is a synthetic nonfluorinated topical corticosteroid.

일반 설명Prednicarbate, 17-[(ethoxycarbonyl)oxy]-11β-hydroxy-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione, is a prednisolone derivative with a C21 propionateester and a C17 ethyl carbonate group. It is availablefor use only in a 0.1% topical cream. Prednicarbate is amedium-potency GC.

상·하류 제품 정보

상류 원료

실리카겔무수초산프로피온일 염화물프레드니솔원Tetraethyl orthocarbonatePara toluene중탄산나트륨(중조)Anhydrous pyridine

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