AMG-3969 - Moligand™, ≥99% , CAS No.1361224-53-4

CAS: 1361224-53-4 Cat. No.: A650737 Molecular Weight: 522.46

GRADE & PURITY Moligand™, ≥99%

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

AMG-3969 is a potent glucokinase-glucokinase regulatory protein interaction (GK-GKRP) disruptor with an IC50 of 4 nM.

Specifications

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

AMG-3969 is a potent glucokinase-glucokinase regulatory protein interaction ( GK-GKRP ) disruptor with an IC 50 of 4 nM.

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

MODULATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC#CC1CN(CCN1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C3=CN=C(C=C3)N
• IUPAC Name: 2-[4-[(2S)-4-(6-aminopyridin-3-yl)sulfonyl-2-prop-1-ynylpiperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
• InChIKey: SIFKNECWLVONIH-INIZCTEOSA-N
• INCHI: 1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1
• Isomeric SMILES: CC#C[C@H]1CN(CCN1C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)C3=CN=C(C=C3)N
• MeSH Entry Terms: 2-(4-(4-((6-amino-3-pyridinyl)sulfonyl)-2-(1-propyn-1-yl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol;AMG-3969
• Molecular Weight: 522.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Pyridinesulfonamides Aniline and substituted anilines Dialkylarylamines Aminopyridines and derivatives Imidolactams Organosulfonamides Tertiary alcohols Heteroaromatic compounds Sulfonyls Fluorohydrins Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Primary amines Aromatic alcohols Organic oxides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Pyridine-3-sulfonamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Monocyclic benzene moiety - Pyridine - Organosulfonic acid amide - Imidolactam - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary alcohol - Tertiary amine - Fluorohydrin - Halohydrin - Azacycle - Alkyl halide - Primary amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Alkyl fluoride - Amine - Organic nitrogen compound - Aromatic alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Associated Targets(Human)

GCKR Tchem Glucokinase regulatory protein (1 Activities)

Discover Target: GCKR

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

GCK Tchem Glucokinase (1 Activities)

Discover Target: GCK

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

GCKR Tchem Glucokinase regulatory protein (190 Activities)

Discover Target: GCKR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Gck Hexokinase type IV (278 Activities)

Discover Target: Gck

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsome (341 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (191.40 mM)
• Molecular Weight: 522.500 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 522.116 Da
• Monoisotopic Mass: 522.116 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 901.000
• 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