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defoslimod , CAS No.171092-39-0, Agonist of TLR2;Agonist of TLR4

COA

Grade & Purity:

Moligand™

Cas Number: 171092-39-0
PubChem CID: 656812

In stock

Item Number

D609793

Grouped product items
SKU	Size	Availability	Price	Qty
D609793-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90
D609793-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,000.90

View related series

TLR2 Agonist (4) TLR4 Agonist (6)

Basic Description

Synonyms	OM 174 \| OM-174
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of TLR2;Agonist of TLR4

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbohydrates and carbohydrate conjugates
      - Level5 Aminosaccharides
        Level6 Amino sugars
        Level7 Acylaminosugars

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Aminosaccharides - Amino sugars
Direct Parent	Acylaminosugars
Alternative Parents	Hexose phosphates Disaccharide phosphates N-acyl-alpha-hexosamines O-glycosyl compounds Fatty acid esters Monoalkyl phosphates Oxanes N-acyl amines Secondary alcohols Carboxylic acid esters Secondary carboxylic acid amides Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Acylaminosugar - Hexose phosphate - Disaccharide phosphate - N-acyl-alpha-hexosamine - Disaccharide - Glycosyl compound - O-glycosyl compound - Monoalkyl phosphate - Fatty acid ester - Alkyl phosphate - Phosphoric acid ester - Oxane - Fatty acyl - Organic phosphoric acid derivative - Fatty amide - N-acyl-amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
External Descriptors	Triacylaminosugars
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)

TLR2 Tchem Toll-like receptor 2 (0 Activities)

Discover Target: TLR2

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

TLR4 Tchem Toll-like receptor 4 (0 Activities)

Discover Target: TLR4

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

Names and Identifiers

INCHI	InChI=1S/C52H100N2O20P2/c1-4-7-10-13-16-19-22-25-28-31-38(56)34-42(57)53-45-48(61)47(60)41(72-52(45)74-76(66,67)68)37-69-51-46(49(62)50(40(36-55)71-51)73-75(63,64)65)54-43(58)35-39(32-29-26-23-20-17-14-11-8-5-2)70-44(59)33-30-27-24-21-18-15-12-9-6-3/h38-41,45-52,55-56,60-62H,4-37H2,1-3H3,(H,53,57)(H,54,58)(H2,63,64,65)(H2,66,67,68)/t38-,39+,40-,41-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1
InChIKey	GOWLTLODGKPXMN-MEKRSRHXSA-N
Smiles	CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C[C@@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)O)OP(=O)(O)O)OP(=O)(O)O)O
Isomeric SMILES	CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O)NC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)O)O
PubChem CID	656812

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