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NI-57

CAT: 0804-HY-19537-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19537-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NI-57, a chemical probe, is an inhibitor of bromodomain and plant homeodomain finger-containing (BRPF) famlily of proteins, with IC50s of 3.1, 46 and 140 nM for BRPF1, BRPF2 (BRD1) and BRPF3, respectively.
CAS Number
1883548-89-7
UNSPSC
12352005
Hazard Statement
H315-H319-H320
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/NI-57.html
Purity
99.96
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
COC1=CC(C#N)=CC=C1S(NC2=CC3=C(C=C2)N(C)C(C(C)=C3)=O)(=O)=O
Molecular Formula
C19H17N3O4S
Molecular Weight
383.42
Precautions
P264-P280-P302+P352-P305+P351+P338-P362
References & Citations
[1]Igoe N, et al. Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J Med Chem. 2017 Aug 24;60 (16) :6998-7011.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

NI-57
CAS Number1883548-89-7
PubChem CID91827373
IUPAC Name4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide
Molecular FormulaC19H17N3O4S
Molecular Weight383.4
XLogP2.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity764
SMILES
CC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C=C3)C#N)OC)N(C1=O)C
InChI
InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
InChIKey
UEMQPCYDWCSVCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NI-57
CAS: 1883548-89-7
CID: 91827373
Formula: C19H17N3O4S
MW: 383.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass383.09397721
Monoisotopic Mass383.09397721
Topological Polar Surface Area108 Ų
Heavy Atom Count27
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3845180-01NI-57
BN166032-01NI 57
A20739-50NI-57 50mg
A20739-10NI-57 10mg
A20739-2NI-57 2mg
A20739-25NI-57 25mg
A20739-100NI-57 100mg
A20739-5NI-57 5mg
A20739-10mM-DNI-57 10mM * 1mL in DMSO
bs-60279C-01NI-57, BRPF Bromodomain Inhibitor

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