Dorsomorphin 2HCl - ≥98% , CAS No.1219168-18-9

CAS: 1219168-18-9 Cat. No.: D129758 分子式: C₂₄H₂₅N₅O·2HCl 分子量: 472.41

GRADE & PURITY ≥98%

Synonyms

BML-275 | 6-[4-[2-(1-Piperidinyl)ethoxy]phenyl]-3-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine hydrochloride (1:2) | Compound C dihydrochloride | BML275 dihydrochloride | BML 275 dihydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Dorsomorphin is a potent, reversible, selective AMPK inhibitor with Ki of 109 nM, exhibiting no significant inhibition of several structurally related kinases including ZAPK, SYK, PKCθ, PKA, and JAK3. Also inhibits BMP type I receptor.
A potent and selective AMPK inhibitor.

Specifications

同義語

BML-275 | 6-[4-[2-(1-Piperidinyl)ethoxy]phenyl]-3-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine hydrochloride (1:2) | Compound C dihydrochloride | BML275 dihydrochloride | BML 275 dihydrochloride

仕様と純度

≥98%

生化学的・生理学的メカニズム

Dorsomorphin dihydrochloride has been shown to act as a potent and selective inhibitor of AMP-activated protein kinase (AMPK; Ki = 109 nM), induced by AICAR and metformin. Dorsomorphin dihydrochloride also inhibits the bone morphogenetic protein type 1 re

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

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純度

≥98%

名前と識別子

• パブケム・シド: 504770910
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504770910
• カノニカル・スマイル: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3.Cl.Cl
• IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;dihydrochloride
• InChIKey: RJDVIJJQKMGPMV-UHFFFAOYSA-N
• INCHI: 1S/C24H25N5O.2ClH/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20;;/h4-11,16-18H,1-3,12-15H2;2*1H
• 異性体SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3.Cl.Cl
• 分子量: 472.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Piperidines Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Piperidine - Azole - Heteroaromatic compound - Pyrazole - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: Soluble in water (100 mM), and DMSO (20 mM).
• 分子量: 472.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 471.159 Da
• Monoisotopic Mass: 471.159 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 514.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

XLogP3

参考文献

1. Minchi Liu, Wenjun Qian, Selvaraj Subramaniyam, Shuang Liu, Wenkuan Xin.  (2020)  Denatonium enhanced the tone of denuded rat aorta via bitter taste receptor and phosphodiesterase activation.  EUROPEAN JOURNAL OF PHARMACOLOGY,      [PMID:32006560] [10.1016/j.ejphar.2020.172951]