Piclamilast

HCID 154575

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Grundinformationen

CAS: 144035-83-6
Standard-SMILES: COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
InChIKey: RRRUXBQSQLKHEL-UHFFFAOYSA-N
Summenformel: C18H18Cl2N2O3
Durchschnittliche Molmasse: 381,2 g/mol
Monoisotopische Masse: 380,0694478

Namen und Bezeichner

Bevorzugter Name: Piclamilast
IUPAC: 3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzamide
Englischer Name: Piclamilast
Summenformel: C18H18Cl2N2O3
Molmasse: 381.25

Namen und Synonyme

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

Weitere Namen anzeigen

RPR 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 60,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 25
Formalladung: 0
Komplexität: 438

Physikochemische Eigenschaften

Siedepunkt: 447.8 · 447.8±45.0 °C(Predicted)
Dichte: 1.37 · 1.370
storage temp.: 2 · 2-8°C
Löslichkeit: 20 mg/mL, · DMSO: soluble20mg/mL, clear
pka: 10.1 · 10.10±0.70(Predicted)
Aggregatzustand: powder
Farbe: white to beige
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

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

Chemie und Industrie

Pharmakologische Informationen

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.

Anwendungen · 1 Eintrag

VerwendenPiclamilast 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).

Anbieter35 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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.