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BMS-986299

CAT: 1568-C14534-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C14534-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2242952-69-6
Target
NLRP3
Applications
Immunology & Inflammation
Smiles
CCN (CC1=NC2=C (N) N=C3C=C (C=CC3=C2[NH]1) C4=N[NH]C=C4) C (C) =O
Molecular Formula
C18H19N7O
Additionnal Information
BMS-986299 is a novel NLRP3 agonist that induces IL8 release to activate natural killer (NK) cells.
Storage Conditions
3 years -20°C powder

Chemical Information

Bms-986299

NLRP3 Agonist BMS-986299 is a nucleotide-binding domain and leucine-rich repeat (NLR) family pyrin domain containing 3 (NLRP3; NACHT, LRR and PYD Containing Protein 3; NALP3) agonist with potential immunomodulatory and antineoplastic activities. Upon administration, NLRP3 agonist BMS-986299 binds to and activates NLRP3, potentially promoting NLRP3 inflammasome-mediated secretion of interleukin-8 (IL-8), which may induce tumoricidal activity of natural killer (NK) cells against tumor cells. NLRP3, a sensor component of the NLRP3 inflammasome plays a significant role in immunity and inflammation, and may protect against tumorigenesis in some cancers.

CAS Number2242952-69-6
PubChem CID137498152
IUPAC NameN-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
Molecular FormulaC18H19N7O
Molecular Weight349.4
XLogP1.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C
InChI
InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)
InChIKey
UHNRLQRZRNKOKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-986299
CAS: 2242952-69-6
CID: 137498152
Formula: C18H19N7O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass349.16510826
Monoisotopic Mass349.16510826
Topological Polar Surface Area117 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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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