Name: Name:JI-101
Brand: AABLOCKS
SKU: AA00GU12
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00GU12

Chemical Name: JI-101

CAS Number: 900573-88-8

Molecular Formula: C22H20BrN5O2

Molecular Weight: 466.3305

MDL Number: MFCD26142530

SMILES: COc1ccc(cc1NC(=O)Nc1cccc2c1ccn2Cc1cc[nH]c(=N)c1)Br

Properties

Complexity: 582

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 30

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.4

Literature fold

Title: A strategy for extending the applicability of a validated plasma calibration curve to quantitative measurements in multiple tissue homogenate samples: a case study from a rat tissue distribution study of JI-101, a triple kinase inhibitor.

Journal: Biomedical chromatography : BMC20120401

Title: Highly sensitive method for the determination of JI-101, a multi-kinase inhibitor in human plasma and urine by LC-MS/MS-ESI: method validation and application to a clinical pharmacokinetic study.

Journal: Biomedical chromatography : BMC20120201

Title: Pharmacokinetics, tissue distribution and identification of putative metabolites of JI-101 - a novel triple kinase inhibitor in rats.

Journal: Arzneimittel-Forschung20120101

Title: Highly sensitive method for the determination of a novel triple kinase inhibitor with anti-cancer activity, JI-101, in rat plasma by liquid chromatography-electrospray ionization tandem mass spectrometry: application to a pharmacokinetic study.

Journal: Biomedical chromatography : BMC20110701

Title: Gurav SD, et al. Pharmacokinetics, tissue distribution and identification of putative metabolites of JI-101 - a novel triple kinase inhibitor in rats. Arzneimittelforschung. 2012 Jan;62(1):27-34.

900573-88-8 | JI-101