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E3 ubiquitin ligase components
dTAG-13 , CAS No.D609997, cereblon

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dTAG-13 , CAS No.D609997, cereblon

COA

Grade & Purity:

Moligand™

PubChem CID: 124187630

In stock

Item Number

D609997

Grouped product items
SKU	Size	Availability	Price	Qty
D609997-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,400.90
D609997-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

cereblon (14)

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Mechanism of action	cereblon

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Linear 1,3-diarylpropanoids
Alternative Parents	Alpha amino acid esters Phthalimides Phenylacetamides Dimethoxybenzenes Benzyloxycarbonyls Piperidinecarboxylic acids Phenylpropanes N-acylpiperidines Isoindoles Piperidinediones Phenoxy compounds Anisoles Delta lactams Alkyl aryl ethers N-substituted carboxylic acid imides Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Dicarboximides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Linear 1,3-diarylpropanoid - Alpha-amino acid ester - Phthalimide - O-dimethoxybenzene - Dimethoxybenzene - Phenylacetamide - Isoindolone - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Phenylpropane - N-acyl-piperidine - Isoindole or derivatives - Isoindole - Isoindoline - Phenoxy compound - Methoxybenzene - Piperidinedione - Phenol ether - Anisole - Piperidinone - Delta-lactam - Alkyl aryl ether - Benzenoid - Piperidine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Secondary carboxylic acid amide - Lactam - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
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

Associated Targets(Human)

CRBN Tclin Protein cereblon (0 Activities)

Discover Target: CRBN

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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	[(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexylamino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
INCHI	InChI=1S/C57H68N4O15/c1-7-37(36-32-47(71-4)52(73-6)48(33-36)72-5)54(65)60-29-14-12-19-41(60)57(68)76-43(25-22-35-23-26-44(69-2)46(31-35)70-3)38-17-10-11-20-42(38)75-34-50(63)58-28-13-8-9-15-30-74-45-21-16-18-39-51(45)56(67)61(55(39)66)40-24-27-49(62)59-53(40)64/h10-11,16-18,20-21,23,26,31-33,37,40-41,43H,7-9,12-15,19,22,24-25,27-30,34H2,1-6H3,(H,58,63)(H,59,62,64)/t37-,40?,41-,43+/m0/s1
InChIKey	BJFBRLAWLPZOMJ-QHVFGHLPSA-N
Smiles	CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)CCc1ccc(c(c1)OC)OC)c1cc(OC)c(c(c1)OC)OC
Isomeric SMILES	CC[C@@H](C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OCC(=O)NCCCCCCOC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O
PubChem CID	124187630

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	1049.200 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	27
Exact Mass	1048.47 Da
Monoisotopic Mass	1048.47 Da
Topological Polar Surface Area	224.000 Å²
Heavy Atom Count	76
Formal Charge	0
Complexity	1930.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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