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TCI15 , CAS No.T614352, Inhibitor of integrin α2β1

COA

Grade & Purity:

Moligand™

PubChem CID: 73755228

In stock

Item Number

T614352

Grouped product items
SKU	Size	Availability	Price	Qty
T614352-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$674.90
T614352-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,020.90

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integrin α2β1 Inhibitor (3)

Basic Description

Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of integrin α2β1

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 N-acyl-alpha amino acids and derivatives
        Level8 N-acyl-alpha amino acids
        Level9 N-acyl-L-alpha-amino acids

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent	N-acyl-L-alpha-amino acids
Alternative Parents	Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Thiazolidines Sulfonyls Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-acyl-l-alpha-amino acid - Benzenesulfonamide - Benzenesulfonyl group - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiazolidine - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
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)

ITGA2 Tbio Integrin alpha-2 (0 Activities)

Discover Target: ITGA2

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

ITGB1 Tclin Integrin beta-1 (0 Activities)

Discover Target: ITGB1

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

Names and Identifiers

IUPAC Name	(2S)-2-{[(4S)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-[(benzylcarbamoyl)amino]propanoic acid
INCHI	InChI=1S/C23H28N4O6S2/c1-23(2)19(27(15-34-23)35(32,33)17-11-7-4-8-12-17)20(28)26-18(21(29)30)14-25-22(31)24-13-16-9-5-3-6-10-16/h3-12,18-19H,13-15H2,1-2H3,(H,26,28)(H,29,30)(H2,24,25,31)/t18-,19-/m0/s1
InChIKey	XKLHCUGVLCGKKX-OALUTQOASA-N
Smiles	O=C(NC[C@@H](C(=O)O)NC(=O)[C@@H]1N(CSC1(C)C)S(=O)(=O)c1ccccc1)NCc1ccccc1
Isomeric SMILES	CC1([C@@H](N(CS1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CNC(=O)NCC3=CC=CC=C3)C(=O)O)C
PubChem CID	73755228

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