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3-(Methylsulfonyl)propanenitrile - ≥98%, high purity , NACHT, LRR and PYD domains-containing protein 3 inhibitor, CAS No.54863-37-5, NACHT, LRR and PYD domains-containing protein 3 inhibitor

Moligand™

≥98%

CAS#: 54863-37-5
Formula: C₄H₇NO₂S
Molecular Weight: 133.17
PubChem CID: 12714644
PubChem SID: 488198226

Item Number

D286906

Grouped product items
SKU	Size	Availability	Price
D286906-10mg	10mg	In stock	$78.90
D286906-50mg	50mg	In stock	$276.90
D286906-250mg	250mg	In stock	$1,246.90
D286906-1g	1g	In stock	$4,487.90

NLRP3 inflammasome inhibitor; disrupts inflammasome formation

View related series

NLRP3 Inhibitor

Basic Description

Synonyms	A936206 \| 3-methanesulfonylpropanenitrile \| HY-17629 \| Tox21_301069 \| AKOS010140086 \| 3-(methanesulfonyl)propanenitrile \| Dapansutrile (USAN/INN) \| BDBM50505850 \| 3-(methylsulfonyl)propanenitrile \| Dapansutrile [INN] \| s8907 \| 3-methylsulphonyl-propionitr
Specifications & Purity	Moligand™, ≥98%
Biochemical and Physiological Mechanisms	NLRP3 inflammasome inhibitor that disrupts inflammasome formation. Reduces LPS/ATP-induced IL-1β secretion in human and mouse macrophagesin vitro, without affecting TNFα levels. Reduces LPS-induced inflammationin vivo. Also reduces joint swelling and mark
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	NACHT, LRR and PYD domains-containing protein 3 inhibitor

Product Properties

ALogP	-0.7

Associated Targets(Human)

NLRP3 Tchem NACHT, LRR and PYD domains-containing protein 3 (0 Activities)

Discover Target: NLRP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NLRP3 Tchem NACHT, LRR and PYD domains-containing protein 3 (908 Activities)

Discover Target: NLRP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

SARS-CoV-2 (38078 Activities)

Discover Target:

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

Pubchem Sid	488198226
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488198226
IUPAC Name	3-methylsulfonylpropanenitrile
INCHI	InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
InChi Key	LQFRYKBDZNPJSW-UHFFFAOYSA-N
Canonical SMILES	CS(=O)(=O)CCC#N
Isomeric SMILES	CS(=O)(=O)CCC#N
PubChem CID	12714644
Molecular Weight	133.17

Database links

PubChem CID	12714644
CAS Registry No.	54863-37-5
ChEMBL Ligand	CHEMBL3989943
PubChem SID	488198226

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
D2326244	Certificate of Analysis	Mar 29, 2023	D286906
D2326252	Certificate of Analysis	Mar 29, 2023	D286906
D2326256	Certificate of Analysis	Mar 29, 2023	D286906
D2326257	Certificate of Analysis	Mar 29, 2023	D286906
D2326287	Certificate of Analysis	Mar 29, 2023	D286906
D2326507	Certificate of Analysis	Mar 29, 2023	D286906
D2326513	Certificate of Analysis	Mar 29, 2023	D286906
D2326518	Certificate of Analysis	Mar 29, 2023	D286906

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 13.32, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.66, Max Conc. mM: 20
Sensitivity	Air & Heat sensitive
Melt Point(°C)	75 °C

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.

FAQs and Articles

FAQ

PANoptosis: An inflammatory programmed cell death pathway

Categories: Technical articles

Tags:

PAN apoptosis

References

1. Marchetti C, Swartzwelter B, Gamboni F, Neff CP, Richter K, Azam T, Carta S, Tengesdal I, Nemkov T, D'Alessandro A et al.. (2018) OLT1177, a β-sulfonyl nitrile compound, safe in humans, inhibits the NLRP3 inflammasome and reverses the metabolic cost of inflammation.. Proc Natl Acad Sci USA, 115 (7): (E1530-E1539). [PMID:29378952]
2. Zhou W, Chen C, Chen Z, Liu L, Jiang J, Wu Z, Zhao M, Chen Y. (2018) NLRP3: A Novel Mediator in Cardiovascular Disease.. J Immunol Res, 2018 (3): (5702103). [PMID:29850631]
3. Marchetti C, Swartzwelter B, Koenders MI, Azam T, Tengesdal IW, Powers N, de Graaf DM, Dinarello CA, Joosten LAB. (2018) NLRP3 inflammasome inhibitor OLT1177 suppresses joint inflammation in murine models of acute arthritis.. Arthritis Res Ther, 20 (1): (169). [PMID:30075804]

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