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BGG463 - ≥98.0%, high purity , CAS No.890129-26-7

COA

Grade & Purity:

≥98%

Cas Number: 890129-26-7
Molecular Weight: 578.58
PubChem CID: 67406169

In stock

Item Number

B648906

Grouped product items
SKU	Size	Availability	Price
B648906-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90
B648906-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
B648906-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90
B648906-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
B648906-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
B648906-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90

View related series

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

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	BGG463 (K03859) is an orally active type II CDK2 inhibitor.
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.
Product Description	BGG463 (K03859) is an orally active type II CDK2 inhibitor In Vitro BGG463 potently inhibits T315I BCR–ABL autophosphorylation and shows good oral efficacy in mouse models of CML. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:CDK2

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalenecarboxylic acids and derivatives
      - Level5 Naphthalenecarboxamides
        Level6 Naphthalene-1-carboxanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalenecarboxylic acids and derivatives
Intermediate Tree Nodes	Naphthalenecarboxamides
Direct Parent	Naphthalene-1-carboxanilides
Alternative Parents	Aromatic anilides Diarylethers Trifluoromethylbenzenes N-acetylarylamines Phenylmethylamines Benzylamines N-methylpiperazines Aralkylamines Pyrimidines and pyrimidine derivatives Imidolactams Heteroaromatic compounds Acetamides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthalene-1-carboxanilide - Aromatic anilide - Diaryl ether - Trifluoromethylbenzene - N-acetylarylamine - N-arylamide - Phenylmethylamine - Benzylamine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Imidolactam - Pyrimidine - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalene-1-carboxanilides. These are naphthalene-1-carboxamides, where the carboxamide group is substituted with an aniline.
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

Names and Identifiers

IUPAC Name	6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
INCHI	InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
InChIKey	MZZJNOOADWVFPD-UHFFFAOYSA-N
Smiles	CC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)C(=CC=C3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F
Isomeric SMILES	CC(=O)NC1=CC(=NC=N1)OC2=CC3=C(C=C2)C(=CC=C3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F
PubChem CID	67406169
Molecular Weight	578.58

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : ≥ 125 mg/mL (216.05 mM)
Molecular Weight	578.600 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	578.225 Da
Monoisotopic Mass	578.225 Da
Topological Polar Surface Area	99.700 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	917.000
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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