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K 03861 - ≥98%(HPLC), high purity , CAS No.853299-07-7

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K 03861 - ≥98%(HPLC), high purity , CAS No.853299-07-7

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 853299-07-7
Molecular Weight: 501.51
PubChem CID: 11260561
PubChem SID: 504766220

In stock

Item Number

K286672

Grouped product items
SKU	Size	Availability	Price
K286672-10mg	10mg	2	$141.90
K286672-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$444.90
K286672-250mg	250mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,002.90

Potent Cdk2 inhibitor

View related series

CDK (252) Cell Cycle (2830) Cell Cycle/DNA Damage (2602)

Basic Description

Synonyms	K03861 \| 1-[4-(2-Aminopyrimidin-4-yloxy)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-trifluoromethylphenyl]urea \| AUZ454 \| CCG 269702 \| AUZ 454 \| K-03861 \| AUZ-454 \| CCG269702 \| K 03861 \| CCG-269702 \| N-[4-[(2-Amino-4-pyrimidinyl)oxy]phenyl]-N′-[4-[(4-
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	K03861 is an ATP site-binding, cyclin-competitive, type II CDK2 inhibitor that selectively targets and locks the kinase in its inactive DFG-out conformation (CDK2 Kd = 50 nM, DFG-out stabilizing CDK2-C118L/A144C mutant Kd = 9.7 nM without vs. 134.1 nM wit
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylethers
Alternative Parents	N-phenylureas Trifluoromethylbenzenes Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Aminopyrimidines and derivatives N-methylpiperazines Aralkylamines Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Primary amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diaryl ether - Trifluoromethylbenzene - N-phenylurea - Phenoxy compound - Phenol ether - Benzylamine - Phenylmethylamine - Aminopyrimidine - Aralkylamine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - Piperazine - 1,4-diazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Urea - Azacycle - Organoheterocyclic compound - Organohalogen compound - Primary amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors	Not available
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)

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)

Discover Target: CDK1

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504766220
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504766220
IUPAC Name	1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
INCHI	InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
InChIKey	PWDLXPJQFNVTNL-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
Isomeric SMILES	CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
Molecular Weight	501.51
Reaxy-Rn	14559510
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14559510&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
J2109277	Certificate of Analysis	Jul 12, 2024	K286672
J2109278	Certificate of Analysis	Jul 12, 2024	K286672
J2109279	Certificate of Analysis	Jul 12, 2024	K286672

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 25.08, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 50.15, Max Conc. mM: 100
Molecular Weight	501.500 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	501.21 Da
Monoisotopic Mass	501.21 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	700.000
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	1

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