Basic Description

Synonyms	BENZONITRILE, 4-(4-((4-(((2-((3S)-2,6-DIOXO-3-PIPERIDINYL)-2,3-DIHYDRO-1-OXO-1H-ISOINDOL-4-YL)OXY)METHYL)PHENYL)METHYL)-1-PIPERAZINYL)-3-FLUORO- \| Benzonitrile, 4-(4-((4-(((2-((3S)-2,6-dioxo-3-piperidinyl)-2,3-dihydro-1-oxo-1Hisoindol-4-yl)oxy)methyl)phen
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	CC-92480 is a novel protein degrader and a cereblon E3 ligase modulator (CELMoD) that has anti-myeloma activity.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information CC-92480 CC-92480 is a novel protein degrader and a cereblon E3 ligase modulator (CELMoD) that has anti-myeloma activity. Targets Cereblon In vitro CC-92480 has a unique and rapid degradation profile: the enhanced efficiency to drive the formation of the protein−protein interaction between Aiolos and cereblon, inducing targeted docking to the CRL4-CRBN E3 ubiquitin ligase complex. The CC-92480-dependent binding of Aiolos/Ikaros to CRBN leads to polyubiquitination and ultimately proteasome-mediated degradation of protein. Rapid and extensive loss of Aiolos/Ikaros in sensitive cells, such as multiple myeloma cells, results in apoptosis and subsequent cell death. In vivo CC-92480 is evaluated in efficacy models to assess tumor growth inhibition in tumor bearing mice. When tumors reaches approximately 150 mm³, mice are randomized and treated once daily (q.d.) orally with vehicle control or various dosage strengths of CC-92480. Both the 3 and 10 mg/kg doses give near maximal response in this model, while the lowest dose tested (1 mg/kg) shows 75% reduction in tumor volume by the end of the study. Cell Research(from reference) Cell lines：H929 R10-1 cells Concentrations：1 nM, 10 nM, 100 nM Incubation Time：4 h, 72 h

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	N-arylpiperazines Isoindolones Alpha amino acids and derivatives Piperidinediones Phenylmethylamines Dialkylarylamines Benzylamines Benzonitriles Aniline and substituted anilines N-alkylpiperazines Fluorobenzenes Delta lactams Aralkylamines Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Pyrrolines N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Vinyl fluorides Nitriles Fluoroalkenes Enamines Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Phenylpiperazine - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Isoindoline - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Piperidinedione - Phenylmethylamine - Benzylamine - Benzonitrile - Aralkylamine - N-alkylpiperazine - Piperidinone - Halobenzene - Fluorobenzene - Delta-lactam - Alkyl aryl ether - Benzenoid - Piperidine - N-acyl-amine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrroline - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Nitrile - Carbonitrile - Ether - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors	Not available
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

Product Properties

ALogP	3.586
hba_count	4
HBD Count	1
Rotatable Bond	7

Associated Targets(Human)

CRBN Tclin Cereblon/Ikaros (139 Activities)

Discover Target: CRBN

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

CRBN Tclin Cereblon/Aiolos (164 Activities)

Discover Target: CRBN

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504773496
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504773496
IUPAC Name	4-[4-[[4-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]-3-fluorobenzonitrile
INCHI	InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1
InChIKey	YTINZZFBHWSAGL-NDEPHWFRSA-N
Smiles	C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)F
Isomeric SMILES	C1CC(=O)NC(=O)[C@H]1N2CC3=C(C2=O)C=CC=C3OCC4=CC=C(C=C4)CN5CCN(CC5)C6=C(C=C(C=C6)C#N)F
Molecular Weight	567.61
Reaxy-Rn	33912402
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33912402&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
H2302589	Certificate of Analysis	Jul 10, 2023	C414305
H2302588	Certificate of Analysis	Jul 10, 2023	C414305
H2302587	Certificate of Analysis	Jul 10, 2023	C414305
H2302670	Certificate of Analysis	Jul 10, 2023	C414305
H2302669	Certificate of Analysis	Jul 10, 2023	C414305
H2302679	Certificate of Analysis	Jul 10, 2023	C414305
H2302593	Certificate of Analysis	Jul 10, 2023	C414305
H2302677	Certificate of Analysis	Jul 10, 2023	C414305
H2302699	Certificate of Analysis	Jul 10, 2023	C414305
H2302576	Certificate of Analysis	Jul 10, 2023	C414305

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 100 mg/mL (176.17 mM); Water: Insoluble; Ethanol: Insoluble;
DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	176.177304839591
Water(mg / mL) Max Solubility	＜1
Molecular Weight	567.600 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	567.228 Da
Monoisotopic Mass	567.228 Da
Topological Polar Surface Area	106.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1050.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Documents & Articles

CC-92480,Dalcetrapib,Tovorafenib and AZD4604

Categories: Technical articles

Tags:

Building Blocks inhibitor Organic synthesis

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SKU	Size	Availability	Price
C414305-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$98.90
C414305-5mg	5mg	2	$345.90
C414305-10mg	10mg	2	$543.90
C414305-25mg	25mg	2	$1,224.90
C414305-50mg	50mg	1	$1,632.90
C414305-100mg	100mg	1	$2,226.90

CC-92480 - 98%, high purity , CAS No.2259648-80-9