2-Methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-one

HCID 238484

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Basic information

CAS: 195371-52-9
Standard SMILES: CC(CCc1ccccn1)(CCc1ccccn1)C(=O)c1ccccc1
InChIKey: SETYDCSRABYHSW-UHFFFAOYSA-N
Molecular formula: C23H24N2O
Average molar mass: 344.4 g/mol
Monoisotopic mass: 344.18886339

Overview

a Jak2 tyrosine kinase inhibitor; structure in first source

Names & identifiers

Preferred name: 2-Methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-one
IUPAC: 2-methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-one
English name: NSC 42834
Molecular formula: C23H24N2O
Molecular weight: 344.45

Names & synonyms

2-methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butan-1-oneZ3 compoundRefChem:910034195371-52-9NSC 42834JAK2 Inhibitor V, Z32-methyl-1-phenyl-4-(pyridin-2-yl)-2-(2-(pyridin-2-yl)ethyl)butan-1-oneJAK2 Inhibitor VNSC-42834JAK2 Inhibitor V;Z3NSC42834MFCD00023550

Show more names

1-ButanoneNSC 42834，Z3Z3(NSC 42834)NSC 42834,Z3, >95%JAK2 Inhibitor V Z3|||Z3JAK2 Inhibitor V, Z3, >=98%NSC 42834 (JAK2 INHIBITOR V)

2-methyl-1-phenyl-4-(pyridin-2-yl)-2-[2-(pyridin-2-yl)ethyl]butan-1-oneMLS002608474Jak2-inhibitor-v,-z3JAK2 Inhibitor V,Z3Jak2-IN-Z3JAK2 Inhibitor V,Z3?CHEMBL563485orb1222554

Database identifiers

CAS: 195371-52-9
PubChem CID: 238484
DTXSID: DTXSID40285798
ChEMBL: CHEMBL563485

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 408

Physicochemical properties

Boiling point: 520.4 · 520.4±50.0 °C(Predicted)
Density: 1.106 · 1.106±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
solubility: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
form: Powder
pka: 5.9 · 5.90±0.12(Predicted)
color: Colorless to light yellow
InChI: 1S/C23H24N2O/c1-23(15-13-20-11-5-7-17-24-20,16-14-21-12-6-8-18-25-21)22(26)19-9-3-2-4-10-19/h2-12,17-18H,13-16H2,1H3
InChIKey: SETYDCSRABYHSW-UHFFFAOYSA-N
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 2 · GHS02
Signal word: Danger
WGK Germany: 1 · WGK 1
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

wgk: WGK 1
Signal word: Danger
Symbol(GHS): GHS02
Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications

UsesNSC 42834 (JAK2 Inhibitor V), a novel specific inhibitor of Jak2, inhibits Jak2-V617F and Jak2-WT autophosphorylation in a dose-dependent manner but was not cytotoxic to cells at concentrations that inhibited kinase activity.

Suppliers64 total

成都彼样生物科技有限公司18108052721 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

上海波以尔化工有限公司[email protected]

United Life Science020-82099279 18988941402 · [email protected]

InvivoChem中国13549236410 · [email protected]

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