MCOPPB三塩酸塩 - ≥99%以上(HPLC) , CAS No.1108147-88-1

CAS: 1108147-88-1 Cat. No.: M288568 分子式: C₂₆H₄₀N₄.₃HCl 分子量: 534.05 PubChem CID: 25208093

GRADE & PURITY ≥99%(HPLC)

Synonyms

MCOPPB triHydrochloride | 1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole trihydrochloride | MCOPPB 3HCl | UNII-SIO8DBP4K7 | SIO8DBP4K7 | MCOPPB (triHydrochloride) | 1108147-88-1 | 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-(

Storage

20℃で保存

Shipped In

アイスチェスト＋アイスパッド

Specifications

同義語

MCOPPB triHydrochloride | 1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole trihydrochloride | MCOPPB 3HCl | UNII-SIO8DBP4K7 | SIO8DBP4K7 | MCOPPB (triHydrochloride) | 1108147-88-1 | 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-(

仕様と純度

≥99%以上(HPLC)

生化学的・生理学的メカニズム

高親和性NOP受容体作動薬（ヒトNOP受容体に対するpKi= 10.07）。記憶や運動には影響を与えず、抗不安作用を示す。試験管内で最も強力な非ペプチド性NOPフルアゴニストの一つとされる。

保管条件

20℃で保存

入荷

アイスチェスト＋アイスパッド

アクションタイプ

AGONIST

純度

≥99%(HPLC)

名前と識別子

カノニカル・スマイル

CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3C5CCCNC5.Cl.Cl.Cl

IUPAC Name

1-[1-(1-methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole;trihydrochloride

InChIKey

DTIPEVOPCGEULQ-RFCADEKQSA-N

INCHI

1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1

異性体SMILES

CC1(CCCCCCC1)N2CCC(CC2)N3C4=CC=CC=C4N=C3[C@@H]5CCCNC5.Cl.Cl.Cl

PubChem CID

25208093

分子量

534.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aralkylamines Piperidines N-substituted imidazoles Benzenoids Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aralkylamine - N-substituted imidazole - Benzenoid - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 16.02, Max Conc. mM: 30; Solvent:DMSO, Max Conc. mg/mL: 32.04, Max Conc. mM: 60
• 分子量: 518.000 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 516.255 Da
• Monoisotopic Mass: 516.255 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 535.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

XLogP3

よくある質問

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1108147-88-1, the molecular formula is C??H??N?.?HCl, and the molecular weight is 534.05 g/mol. InChIKey DTIPEVOPCGEULQ-RFCADEKQSA-N.