BKI-1369 - ≥99% , CAS No.1951431-22-3

CAS: 1951431-22-3 Cat. No.: B647548 Formula: C₂₃H₂₇N₇O Molecular Weight: 417.51 PubChem CID: 122453014

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BKI-1369 is a bumped kinase inhibitor (BKI) . BKI-1369 increases human Ether-a-go-go-related gene (hERG)-inhibitory activity with an IC 50 of 1.52 μM. BKI-1369 reduces the parasite burden and diseases severity in the gnotobiotic pig model. BKI-1369 has been well characterized for potency, stability, metabolism, toxicity, pharmacokinetics and is potent against C. parvum in infected mice and calves

Form:Solid

IC50& Target:IC50: 1.52 μM (hERG)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

BKI-1369 is a bumped kinase inhibitor (BKI) . BKI-1369 increases human Ether-a-go-go-related gene (hERG)-inhibitory activity with an IC 50 of 1.52 μM. BKI-1369 reduces the parasite burden and diseases severity in the gnotobiotic pig model. BKI-1369 has be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCOC1=NC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C
• IUPAC Name: 3-(2-ethoxyquinolin-6-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
• InChIKey: AWJAAKKEYXUCFY-UHFFFAOYSA-N
• INCHI: 1S/C23H27N7O/c1-3-31-19-7-5-16-12-17(4-6-18(16)27-19)21-20-22(24)25-14-26-23(20)30(28-21)13-15-8-10-29(2)11-9-15/h4-7,12,14-15H,3,8-11,13H2,1-2H3,(H2,24,25,26)
• Isomeric SMILES: CCOC1=NC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C
• PubChem CID: 122453014
• MeSH Entry Terms: 3-(2-Ethoxyquinolin-6-yl)-1-((1-methylpiperidin-4-yl)methyl)pyrazolo(3,4-d)pyrimidin-4-amine;BKI 1369;BKI1369;Bumped Kinase Inhibitor 1369
• Molecular Weight: 417.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolones and derivatives
• Alternative Parents: Pyrazolopyrimidines Methylpyridines Alkyl aryl ethers 2-halopyridines Pyrimidines and pyrimidine derivatives Piperidines Imidolactams Benzenoids Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinolone - Pyrazolopyrimidine - 2-halopyridine - Methylpyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Piperidine - Heteroaromatic compound - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone 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)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)

Discover Target: KCNH2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

PRKD3 Tchem Protein kinase C nu (2315 Activities)

Discover Target: PRKD3

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

PRKD1 Tchem Protein kinase C mu (1904 Activities)

Discover Target: PRKD1

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

CAPAN-1 (772 Activities)

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

HL-60 (67320 Activities)

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

K562 (73714 Activities)

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

HCT-116 (91556 Activities)

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

HepG2 (196354 Activities)

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

NCI-H460 (60772 Activities)

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

PRKD2 Tchem Serine/threonine-protein kinase D2 (2847 Activities)

Discover Target: PRKD2

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

LN-229 (376 Activities)

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

Associated Targets(non-human)

Toxoplasma gondii (4585 Activities)

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

CDPK1 Calmodulin-domain protein kinase 1 (251 Activities)

Discover Target: CDPK1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (119.76 mM; Need ultrasonic)