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Ciclopirox

HCID 2749
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
29342-05-0
표준 SMILES
Cc1cc(C2CCCCC2)n(O)c(=O)c1
InChIKey
SCKYRAXSEDYPSA-UHFFFAOYSA-N
분자식
C12H17NO2
평균 분자량
207.27 g/mol
단동위원소 질량
207.12592879

개요

Ciclopirox is a cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and cyclohexyl groups, respectively. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections. It has a role as an antibacterial agent and an antiseborrheic. It is a cyclic hydroxamic acid, a pyridone and a hydroxypyridone antifungal drug.

이름 및 식별자

우선 이름
Ciclopirox
IUPAC
6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
영어명
Ciclopirox
분자식
C12H17NO2
분자량
207.27

이름 및 동의어

CICLOPIROX29342-05-0LoproxPenlacCiclopiroxumHOE 296b2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-cyclopiroxHOE-296b6-Cyclohexyl-1-hydroxy-4-methyl-2(1H)-pyridinone6-cyclohexyl-1-hydroxy-4-methylpyridin-2-oneCiclodan
이름 더 보기
6-Cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-onegopmxgeproxHOE296bMycosterBrumixolDafneginCidochem
CNL819W019ZDRJ2(1H)-Pyridone, 6-cyclohexyl-1-hydroxy-4-methyl-6-cyclohexyl-1-hydroxy-4-methyl-1,2-dihydropyridin-2-oneDTXSID9048564CHEBI:453011Dafnegin CSCRefChem:58503

데이터베이스 식별자

CAS
29342-05-0
PubChem CID
2749
DTXSID
DTXSID9048564
ChEMBL
CHEMBL1413
ChEBI
CHEBI:453011
UNII
19W019ZDRJ
EC Number
249-577-2
Nikkaji
J3.173I

물성

구조 계산 물성

XLogP
2
극성 표면적
40.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
15
형식 전하
0
복잡도
325

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

LogP · 2건

2.3

2.3

Solubility1.41e+00 g/L
Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Anti-Infective Agents; Antifungal Agents

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point144 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
1440 C · 1440C
끓는 점
350 · 350.0±25.0 °C(Predicted)
밀도
1.193 · 1.193±0.06 g/cm3(Predicted)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
물에 약간 용해되고 무수 에탄올과 염화메틸렌에 잘 용해됩니다.
산도 계수 (pKa)
6.25 · 6.25±0.58(Predicted)
물리적 상태
고체
색상
회백색
InChI
InChI=1S/C12H17NO2/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKey
SCKYRAXSEDYPSA-UHFFFAOYSA-N
SMILES
C1(=O)N(O)C(C2CCCCC2)=CC(C)=C1

화학적 성질

White or Light-Yellow Powder

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 1.1% (1 of 89) of reports.

Warning

H302+H312+H332 (32.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 89 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

독성 정보

Exposure Routes · 1건

Rapidly absorbed after oral administration. Mean absorption of ciclopirox after application to nails of all twenty digits and adjacent 5 millimeters of skin once daily for 6 months in patients with dermatophytic onychomycoses was less than 5% of the applied dose. Ciclopirox olamine also penetrates into hair and through the epidermis and hair follicles into sebaceous glands and dermis.

Toxicity Summary · 1건

Unlike antifungals such as itraconazole and terbinafine, which affect sterol synthesis, ciclopirox is thought to act through the chelation of polyvalent metal cations, such as Fe<sup>3+</sup> and Al<sup>3+</sup>. These cations inhibit many enzymes, including cytochromes, thus disrupting cellular activities such as mitochondrial electron transport processes and energy production. Ciclopirox also appears to modify the plasma membrane of fungi, resulting in the disorganization of internal structures. The anti-inflammatory action of ciclopirox is most likely due to inhibition of 5-lipoxygenase and cyclooxygenase. ciclopirox may exert its effect by disrupting DNA repair, cell division signals and structures (mitotic spindles) as well as some elements of intracellular transport.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 5건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

ciclopirox

DILI Negative

Topical

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataLD50: >10 ml/kg (Oral, Rat) (A308)

안전 데이터

wgk
WGK 3
ridadr
UN 3077 9 / PGIII
HS 번호
2933790002
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 5건

D01AE14

G - Genito urinary system and sex hormones

D - Dermatologicals

QG - Genito urinary system and sex hormones

QD - Dermatologicals

Protein BindingProtein binding is 94-97% following topical administration.
Pharmacodynamics · 1건

Ciclopirox is a broad-spectrum antifungal medication that also has antibacterial and anti-inflammatory properties. Its main mode of action is thought to be its high affinity for trivalent cations, which inhibit essential co-factors in enzymes. Ciclopirox exhibits either fungistatic or fungicidal activity in vitro against a broad spectrum of fungal organisms, such as dermatophytes, yeasts, dimorphic fungi, eumycetes, and actinomycetes. In addition to its broad spectrum of action, ciclopirox also exerts antibacterial activity against many Gram-positive and Gram-negative bacteria. Furthermore, the anti-inflammatory effects of ciclopirox have been demonstrated in human polymorphonuclear cells, where ciclopirox has inhibited the synthesis of prostaglandin and leukotriene. Ciclopirox can also exhibit its anti-inflammatory effects by inhibiting the formation of 5-lipoxygenase and cyclooxygenase.

Mechanism of Action · 1건

Unlike antifungals such as itraconazole and terbinafine, which affect sterol synthesis, ciclopirox is thought to act through the chelation of polyvalent metal cations, such as Fe<sup>3+</sup> and Al<sup>3+</sup>. These cations inhibit many enzymes, including cytochromes, thus disrupting cellular activities such as mitochondrial electron transport processes and energy production. Ciclopirox also appears to modify the plasma membrane of fungi, resulting in the disorganization of internal structures. The anti-inflammatory action of ciclopirox is most likely due to inhibition of 5-lipoxygenase and cyclooxygenase. ciclopirox may exert its effect by disrupting DNA repair, cell division signals and structures (mitotic spindles) as well as some elements of intracellular transport.

Biological Half-Life1.7 hours for 1% topical solution.
Metabolism/Metabolites · 2건

Glucuronidation is the main metabolic pathway of ciclopirox.

Glucuronidation is the main metabolic pathway of ciclopirox. Route of Elimination: Most of the compound is excreted either unchanged or as glucuronide. After oral administration of 10 mg of radiolabeled drug (14C-ciclopirox) to healthy volunteers, approximately 96% of the radioactivity was excreted renally within 12 hours of administration. Ninety-four percent of the renally excreted radioactivity was in the form of glucuronides. Half Life: 1.7 hours for 1% topical solution.

FDA Pharmacological Classification · 6건

19W019ZDRJ

CICLOPIROX

Physiologic Effects [PE] - Decreased DNA Replication

Physiologic Effects [PE] - Decreased Protein Synthesis

Physiologic Effects [PE] - Decreased RNA Replication

Mechanisms of Action [MoA] - Protein Synthesis Inhibitors

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Absorption, Distribution and Excretion · 2건

Rapidly absorbed after oral administration. Mean absorption of ciclopirox after application to nails of all twenty digits and adjacent 5 millimeters of skin once daily for 6 months in patients with dermatophytic onychomycoses was less than 5% of the applied dose. Ciclopirox olamine also penetrates into hair and through the epidermis and hair follicles into sebaceous glands and dermis.

Most of the compound is excreted either unchanged or as glucuronide. After oral administration of 10 mg of radiolabeled drug (14C-ciclopirox) to healthy volunteers, approximately 96% of the radioactivity was excreted renally within 12 hours of administration. Ninety-four percent of the renally excreted radioactivity was in the form of glucuronides.

Cellular LocationsMembrane

용도 및 제조

Uses · 2건

Use (kg; approx.) in Germany (2009): >750

Used as a topical treatment in immunocompetent patients with mild to moderate onychomycosis of fingernails and toenails without lunula involvement, due to <i>Trichophyton rubrum</i>.

응용 분야 · 1건

용도Ciclopirox (Penlac) is a synthetic antifungal agent. Ciclopirox (Penlac) is used for topical dermatologic treatment of superficial mycoses. Ciclopirox (Penlac) is most useful against Tinea versicolor. [1] In a study conducted to further elucidate ciclopir

상·하류 제품 정보

상류 원료

사이클로헥산카본산차아염소산나트륨Cyclohexanecarboxylic acid chloride3-펜텐산메틸에스테르글리신Metaclazepam염산 히드록실아민메틸3-메틸-2-부테노에이트시클로피록스올아민염산

하류 제품

시클로피록스올아민

공급사100 곳

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Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
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上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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추가 설명 · 1건

정의ChEBI: A cyclic hydroxamic acid that is 1-hydroxypyridin-2(1H)-one in which the hydrogens at positions 4 and 6 are substituted by methyl and cyclohexyl groups, repectively. A broad spectrum antigfungal agent, it also exhibits antibacterial acti ity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections.

관련 반응

6건
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HRID 919114 반응식
HRID 919114반응물로uspto-grants-2016_03
HRID 1234159 반응식
HRID 1234159생성물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1282728 반응식
HRID 1282728생성물로uspto-grants-1976_08
HRID 1282730 반응식
HRID 1282730생성물로uspto-grants-1976_08
HRID 1861752 반응식
HRID 1861752생성물로uspto-grants-2003_03
HRID 2194626 반응식
HRID 2194626반응물로uspto-grants-2012_12

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