MCC950 - Moligand™, ≥97% , Inhibitor of NLRP3, CAS No.210826-40-7, Inhibitor of NLRP3

CAS: 210826-40-7 Cat. No.: M414276 Molecular Weight: 404.48

GRADE & PURITY Moligand™, ≥97%

Synonyms

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea | N-((1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide | CRID3 | CP-456,773 | 6RS86E2BWQ

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

MCC950 MCC950 is a potent and selective inhibitor of NLRP3 with IC50 of 7.5 nM and 8.1 nM in BMDMs and HMDMs, respectively.

Targets

NLRP3 (BMDM-based assay); NLRP3 (HMDM-based assay) 7.5 nM; 8.1 nM

In vitro

MCC950 is a potent, selective, small molecule inhibitor of NLRP3. MCC950 blocks canonical and non-canonical NLRP3 activation at nanomolar concentrations. MCC950 specifically inhibits NLRP3 but not AIM2, NLRC4 or NLRP1 activation. MCC950 is active in ex vivo samples from individuals with Muckle-Wells syndrome.

MCC950 reduces Interleukin-1p (IL-1β) production in vivo and attenuates the severity of experimental autoimmune encephalomyelitis (EAE), a disease model of multiple sclerosis. Furthermore, MCC950 treatment rescues neonatal lethality in a mouse model of CAPS.

Cell Research(from reference)

Cell lines：BMDM, HMDM, PBMC, HEK293T cells 

Concentrations：0.001 μM–10 μM, 5 nM–1000 nM 

Incubation Time：30 min, 45 min 

Specifications

Synonyms

1-(1, 2, 3, 5, 6, 7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea | N-((1, 2, 3, 5, 6, 7-hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide | CRID3 | CP-456, 773 | 6RS86E2BWQ

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

MCC950 (CP-456773, CRID3) is a potent and selective inhibitor of NLRP3 (NOD-like receptor (NLR) family, pyrin domain-containing protein 3) with IC50 of 7.5 nM and 8.1 nM in BMDMs and HMDMs, respectively.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of NLRP3

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196420
• Canonical Smiles: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
• IUPAC Name: 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea
• InChIKey: HUUSXLKCTQDPGL-UHFFFAOYSA-N
• INCHI: 1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)
• Isomeric SMILES: CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
• Molecular Weight: 404.48
• Reaxy-Rn: 9445209
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9445209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Sulfonylureas Tertiary alcohols Organosulfonic acids and derivatives Heteroaromatic compounds Furans Aminosulfonyl compounds Organic carbonic acids and derivatives Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - Sulfonylurea - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary alcohol - Aminosulfonyl compound - Heteroaromatic compound - Carbonic acid derivative - Organoheterocyclic compound - Oxacycle - Aromatic alcohol - Organic nitrogen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

NLRP3 Tchem NACHT, LRR and PYD domains-containing protein 3 (8 Activities)

Discover Target: NLRP3

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

CYP2C18 Tchem Cytochrome P450 2C18 (42 Activities)

Discover Target: CYP2C18

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

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

THP-1 (11052 Activities)

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

U2OS (164939 Activities)

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

CYP2J2 Tchem Cytochrome P450 2J2 (258 Activities)

Discover Target: CYP2J2

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

BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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

TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

HEK-293T (167025 Activities)

Explore this target

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

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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

Mus musculus (284745 Activities)

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

J774.A1 (2436 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 81 mg/mL (200.25 mM); Ethanol: 3 mg/mL (7.41 mM); Water: Insoluble
• Molecular Weight: 404.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 404.141 Da
• Monoisotopic Mass: 404.141 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 684.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

References

1. De-Wen Bi, Ying-Xin Zhao, Xiong Qiu, Xue-Cong Zhang, Ya-Ling Zhou, Muhammad Aurang Zeb, Wen-Hui Pang, Rui Li, Meng-Ru Wang, Bin Cheng, Jing-Jing Zhang, Xing-Jie Zhang, Xiao-Li Li, Rui-Han Zhang, Wei-Lie Xiao.  (2022)  Callicarpanes A–L, Twelve New Clerodane Diterpenoids with NLRP3 Inflammasome Inhibitory Activity from Callicarpa integerrima.  CHEMISTRY & BIODIVERSITY,  20  (1): (e202200985).  [PMID:36433761] [10.1002/cbdv.202200985]

2. Gao Kexin, Liu Yancui, Sun Cheng, Wang Ying, Bao Hongrong, Liu Guoyang, Ou Jinrui, Sun Ping.  (2024)  TNF-ɑ induces mitochondrial dysfunction to drive NLRP3/Caspase-1/GSDMD-mediated pyroptosis in MCF-7 cells.  Scientific Reports,  14  (1): (1-12).  [PMID:39468189] [10.1038/s41598-024-76997-4]

3. Zong-hui Xu, Man Li, Lin Liu, Shu-jing Wu, Ruo-an Wei, Mpofu Uphakeme Inobubele Sitholumusa, Xiao-ping Zhao, Jun-qiu Liu, Guo-yin Kai.  (2025)  Astragaloside IV alleviates LPS-induced acute lung injury by regulating receptor C5aR1 and macrophage pyroptosis.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:40618503] [10.1016/j.intimp.2025.115176]

4. Heng Wang, Zhaofei Liu, Xiangjun Xu, Haitao Zhang, Lei He, Ming Li.  (2025)  Calycosin Protects Against Chronic Prostatitis via Regulating Cellular Pyroptosis.  AMERICAN JOURNAL OF REPRODUCTIVE IMMUNOLOGY,  93  (5): (e70084).  [PMID:40349356] [10.1111/aji.70084]

5. Rao Yongjuan, Wang Yunran, Gao Jie, Guan Xun, Lv Sixuan, Gu Junlian, Wang Kefang.  (2026)  TRPA1 promotes overactive bladder progression by activating the NLRP3 inflammasome and driving pyroptosis.  Cell Death & Disease,  17  (1): (226).  [PMID:41698890] [10.1038/s41419-026-08426-5]

6. Xiaojuan Pan, Junjie Fu, Xiaofan Gu, Meng Fan, Lixuan Pan, Yun Zhao, Xuan Liu, Xiongwen Zhang.  (2026)  Inhibiting the NLRP3 inflammasome with MCC950 ameliorates muscle atrophy in cancer cachexia.  EUROPEAN JOURNAL OF PHARMACOLOGY,      [PMID:41679687] [10.1016/j.ejphar.2026.178654]

7. Chunyan Niu, Wen Gao, Mei Tan, Yue Chen, Yongqiang Shi, Yan Geng, Huayi Tao, Zhenjiang Xu, Tingting Zhang, Jinming Yang.  (2026)  Galactose-decorated lipid nanoparticle-mediated delivery of a selective NLRP3 inhibitor attenuates hepatic inflammation in metabolic dysfunction-associated steatotic liver disease.  Journal of Materials Chemistry B,      [PMID:] [10.1039/D5TB02289D]

8. Li Yuan, Han Dongyang, Liu Junjie, Qiao Yuxin, Wei Jiaoxia, Lu Haitao, Yao Li.  (2026)  A novel role for decadienyl-L-carnitine in pulmonary vascular remodeling and the underlying interventional mechanism of osthole.  Chinese Medicine,  21  (1): (87).  [PMID:41840734] [10.1186/s13020-026-01362-8]