O1016

OPC-21268 hydrate

≥98% (HPLC)

• Synonym(s): 1-{1-[4(3-acetylaminopropoxy)benzoyl]-4-piperidyl}-3,4-dihydro-2(1H)-quinolinone hydrate, N-[3-[4-[[4-(3,4-dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl]carbonyl]phenoxy]propyl]-acetamide hydrate
• Empirical Formula (Hill Notation): C₂₆H₃₁N₃O₄ · xH₂O
• CAS Number: 131631-89-5
• Molecular Weight: 449.54 (anhydrous basis)
• MDL number: MFCD18632552
• UNSPSC Code: 51111800
• PubChem Substance ID: 329818893
• NACRES: NA.77

Properties

• assay: ≥98% (HPLC)
• form: powder
• color: white to off-white
• solubility: DMSO: ≥20 mg/mL
• originator: Merck & Co., Inc., Kenilworth, NJ, U.S.
• storage temp.: 2-8°C
• SMILES string: O.CC(=O)NCCCOc1ccc(cc1)C(=O)N2CCC(CC2)N3C(=O)CCc4ccccc34
• InChI: 1S/C26H31N3O4.H2O/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31;/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30);1H2
• InChI key: QTCWOUIERWBMQV-UHFFFAOYSA-N

Description

Biochem/physiol Actions

OPC-21268 is a vasopressin V1a selective antagonist.

OPC-21268 is one of 2 non-peptide V1a selective antagonists, along with SR-49059. Arginine vasopressin (AVP) is a hormone that plays an important part in circulatory and water homoeostasis and is important in renal hemodynamic alterations, water retention, and cardiac remodeling in congestive heart failure (CHF). There are three AVP receptor subtypes-V1a, V1b, and V2 - all belong to the large rhodopsin-like G-protein-coupled receptor family. V(1a) antagonists improve water balance and cardiac hypertrophy in CHF and might be beneficial for the treatment of water retention and cardiac remodeling in CHF.

Features and Benefits

This compound was developed by Merck & Co., Inc., Kenilworth, NJ, U.S.. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H302,H400
• pcodes: P273 - P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable