3-(시클로펜틸옥시)-N-(3,5-디클로로-4-피리딜)-4-메톡시벤즈아미드

Piclamilast

HCID 154575

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 144035-83-6
표준 SMILES: COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIKey: RRRUXBQSQLKHEL-UHFFFAOYSA-N
분자식: C18H18Cl2N2O3
평균 분자량: 381.2 g/mol
단동위원소 질량: 380.0694478

이름 및 식별자

우선 이름: Piclamilast
IUPAC: 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
현지명: 3-(시클로펜틸옥시)-N-(3,5-디클로로-4-피리딜)-4-메톡시벤즈아미드
영어명: Piclamilast
분자식: C18H18Cl2N2O3
분자량: 381.25

이름 및 동의어

Piclamilast144035-83-63-(Cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamideRP 73401RP-73401RPR-734013-(Cyclopentyloxy)-N-(3,5-dichloro-4-pyridyl)-4-methoxybenzamideRP 73-401RP-73-401piclamilastum3-(Cyclopentyloxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamideRP73401

이름 더 보기

3-(시클로펜틸옥시)-N-(3,5-디클로로-4-피리딜)-4-메톡시벤즈아미드RPR 73401piclamilasPiclamilast, 10 mM in DMSON-(3,5-Dichloropyrid-4-yl)-3-cyclopentyloxy-4-methoxybenzamideBenzamide,3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxy-

Benzamide, 3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamideWM58D7C3ZT3-(Cyclopentyloxy)-N-(3,5-dichloro-4-pyridyl)-p-anisamideDTXSID3040227CHEBI:47619RefChem:863110DTXCID1020227

데이터베이스 식별자

CAS: 144035-83-6
PubChem CID: 154575
DTXSID: DTXSID3040227
ChEMBL: CHEMBL42126
ChEBI: CHEBI:47619
UNII: WM58D7C3ZT
EC Number: 802-857-3
Nikkaji: J623.884J

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 60.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 25
형식 전하: 0
복잡도: 438

물리화학적 성질

끓는 점: 447.8 · 447.8±45.0 °C(Predicted)
밀도: 1.37 · 1.370
저장 조건: 2 · 2-8°C
용해도: 20 mg/mL, · DMSO: 용해성20mg/mL, 투명
산도 계수 (pKa): 10.1 · 10.10±0.70(Predicted)
물리적 상태: 가루
색상: 흰색에서 베이지색
InChI: 1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKey: RRRUXBQSQLKHEL-UHFFFAOYSA-N
SMILES: Clc1cncc(c1NC(=O)c2cc(c(cc2)OC)OC3CCCC3)Cl

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesRP73401 has known human metabolites that include N-(3,5-Dichloropyridin-4-yl)-3-(3-hydroxycyclopentyl)oxy-4-methoxybenzamide.

MeSH Pharmacological ClassificationCompounds that specifically inhibit PHOSPHODIESTERASE 4.

응용 분야 · 1건

용도Piclamilast is a potent and selective phosphodiesterase-4 (PDE4) inhibitor. Piclamilast may offer therapeutic strategies in respiratory diseases, including asthma and chronic obstructive pulmonary disease. Piclamilast may also provide a treatment option for pre-term infants with bronchopulmonary dysplasia (BPD).

공급사35 곳

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海冬洋生物科技有限公司0512-13601744364 13601744364

芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]

United Life Science020-82099279 18988941402 · [email protected]

InvivoChem中国13549236410 · [email protected]

추가 설명

정의ChEBI: A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.