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TC-I 15 - ≥98%(HPLC), high purity , CAS No.916734-43-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 916734-43-5
Molecular Weight: 520.62
PubChem CID: 90488948

In stock

Item Number

T287016

Grouped product items
SKU	Size	Availability	Price	Qty
T287016-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$296.90
T287016-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,088.90

Potent α2β1inhibitor; displays antithrombotic activityin vivo

View related series

Cytoskeleton (498) Integrin (90)

Basic Description

Synonyms	N-[[(4R)-5,5-Dimethyl-3-(phenylsulfonyl)-4-thiazolidinyl]carbonyl]-3-[[[(phenylmethyl)amino]carbonyl]amino]-L-alanine
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Potentα2β1integrin inhibitor (IC50values for the inhibition of human platelet adhesion to type I collagen are 12 and 715 nM for platelets under static conditions and under flow, respectively). Displays selectivity forα2β1overαvβ3,α5β1,α6β1andαIIbβ3at conc
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.

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

Names and Identifiers

IUPAC Name	(2S)-2-[[(4R)-3-(benzenesulfonyl)-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-(benzylcarbamoylamino)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-RBUKOAKNSA-N
Smiles	CC1(C(N(CS1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CNC(=O)NCC3=CC=CC=C3)C(=O)O)C
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	90488948
Molecular Weight	520.62

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:DMSO, Max Conc. mg/mL: 52.06, Max Conc. mM: 100; Solvent:1eq. NaOH, Max Conc. mg/mL: 26.03, Max Conc. mM: 50
Molecular Weight	520.600 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	520.145 Da
Monoisotopic Mass	520.145 Da
Topological Polar Surface Area	179.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	864.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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

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