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PF 184 - ≥98%(HPLC), high purity , CAS No.1187460-81-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1187460-81-6
Molecular Weight: 619.09
PubChem CID: 57519531

In stock

Item Number

P288759

Grouped product items
SKU	Size	Availability	Price	Qty
P288759-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$314.90

Potent and selective IKKβ inhibitor

View related series

IKK (58) NF-κB (747)

Basic Description

Synonyms	PF-184 \| 8-({2-[(3R,4S)-3,4-Bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl}amino)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide \| DTXSID00727008 \| SCHEMBL19784968 \| 8-[[[5-Chloro-2-[3,4-dimethyl-3,4-bis(hydr
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potent and selective IKKβinhibitor (IC50= 37 nM). Displays selectivity over 85 other kinases. Inhibits IL-1β-induced TNF-αproduction in a steroid-insensitivein vitromodel of oxidative stress.
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Naphthalenes Pyridinecarboxamides 2-heteroaryl carboxamides Pyrazole-5-carboxamides Dialkylarylamines Aminopyridines and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous halides Pyrrolidines Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Organofluorides Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpyrazole - Naphthalene - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - 2-heteroaryl carboxamide - Dialkylarylamine - Pyrazole-5-carboxamide - Halobenzene - Fluorobenzene - Aminopyridine - Aryl halide - Pyridine - Aryl chloride - Imidolactam - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Pyrrolidine - Vinylogous halide - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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	8-[[2-[(3S,4R)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
INCHI	InChI=1S/C32H32ClFN6O4/c1-31(16-41)14-39(15-32(31,2)17-42)26-12-24(25(33)13-36-26)30(44)37-20-7-3-18-4-10-22-27(29(35)43)38-40(28(22)23(18)11-20)21-8-5-19(34)6-9-21/h3,5-9,11-13,41-42H,4,10,14-17H2,1-2H3,(H2,35,43)(H,37,44)/t31-,32+
InChIKey	JUOWWGNRWRLBSV-MEKGRNQZSA-N
Smiles	CC1(CN(CC1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)CO
Isomeric SMILES	C[C@@]1(CN(C[C@@]1(C)CO)C2=NC=C(C(=C2)C(=O)NC3=CC4=C(CCC5=C4N(N=C5C(=O)N)C6=CC=C(C=C6)F)C=C3)Cl)CO
PubChem CID	57519531
Molecular Weight	619.09

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 61.91, Max Conc. mM: 100
Molecular Weight	619.100 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	618.216 Da
Monoisotopic Mass	618.216 Da
Topological Polar Surface Area	147.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1050.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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