Y-27632 - Moligand™, 10mM in DMSO , CAS No.146986-50-7

CAS: 146986-50-7 Cat. No.: Y421711 Summenformel: C₁₄H₂₁N₃O Molekulargewicht: 247.34 EG-Nummer: 620-446-5 PubChem CID: 448042

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

BDBM86729 | Bio2_000937 | NCGC00092276-06 | HY-10071 | Y27632 | y-27632 | 4-[(1R)-1-aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide | HMS1792N15 | HMS3403N15 | trans-4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexanecarboxamide | CCG-204428 | NCGC00092276-10

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

BDBM86729 | Bio2_000937 | NCGC00092276-06 | HY-10071 | Y27632 | y-27632 | 4-[(1R)-1-aminoethyl]-N-(4-pyridyl)cyclohexanecarboxamide | HMS1792N15 | HMS3403N15 | trans-4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexanecarboxamide | CCG-204428 | NCGC00092276-10

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

Y-27632 is ROCK inhibitor, as a novel bronchodilator. Y-27632 is available with IC50 of 3.3±0.25 μM and 2.8±0.2 μM in human and rabbit tissues, respectively.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

MODULATOR

Namen und Kennungen

Pubchem Sid

528768522

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528768522

Kanonisches Lächeln

CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N

IUPAC Name

4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

InChIKey

IYOZTVGMEWJPKR-VOMCLLRMSA-N

INCHI

1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1

Isomere SMILES

C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N

PubChem CID

448042

Molekulargewicht

247.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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

Zugehörige Ziele (menschlich)

ROCK1 Tclin Rho-associated protein kinase 1 (1 Activities)

Discover Target: ROCK1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PKN2 Tchem Serine/threonine-protein kinase N2 (1 Activities)

Discover Target: PKN2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKCE Tchem Protein kinase C epsilon type (1 Activities)

Discover Target: PRKCE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemische und physikalische Eigenschaften

• Molekulargewicht: 247.340 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.168 Da
• Monoisotopic Mass: 247.168 Da
• Topological Polar Surface Area: 68.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 268.000
• 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: 1