THI0019
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MedKoo CAT#: 556072

CAS#: 1378532-99-0

Description: THI0019 is an agonist of very late antigen-4 (VLA-4) integrin that induces progenitor cell adhesion. THI0019 greatly enhanced the adhesion of cultured cell lines and primary progenitor cells to α4β1 ligands VCAM-1 and CS1 under both static and flow conditions. Furthermore, THI0019 facilitated the rolling and spreading of cells on VCAM-1 and the migration of cells toward SDF-1α. Molecular modeling predicted that the compound binds at the α/β subunit interface overlapping the ligand-binding site thus indicating that the compound must be displaced upon ligand binding. Co-administering progenitor cells with a compound such as THI0019 may provide a mechanism for enhancing stem cell therapy.


Chemical Structure

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THI0019
CAS# 1378532-99-0

Theoretical Analysis

MedKoo Cat#: 556072
Name: THI0019
CAS#: 1378532-99-0
Chemical Formula: C29H35N3O7S2
Exact Mass: 601.1916
Molecular Weight: 601.733
Elemental Analysis: C, 57.89; H, 5.86; N, 6.98; O, 18.61; S, 10.66

Price and Availability

Size Price Availability Quantity
5.0mg USD 450.0 2 Weeks
10.0mg USD 750.0 2 Weeks
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Synonym: THI0019; THI-0019; THI 0019;

IUPAC/Chemical Name: (3S,7S)-3-(1,3-Benzodioxol-5-yl)-7-butyl-5,10-dioxo-12-(2-thienyl)-11-(2-thienylmethyl)-9-oxa-4,6,11-triazadodecanoic acid methyl ester

InChi Key: QWDGYRDMZTZEHQ-URXFXBBRSA-N

InChi Code: InChI=1S/C29H35N3O7S2/c1-3-4-7-21(18-37-29(35)32(16-22-8-5-12-40-22)17-23-9-6-13-41-23)30-28(34)31-24(15-27(33)36-2)20-10-11-25-26(14-20)39-19-38-25/h5-6,8-14,21,24H,3-4,7,15-19H2,1-2H3,(H2,30,31,34)/t21-,24-/m0/s1

SMILES Code: O=C(OC)C[C@@H](C1=CC=C(OCO2)C2=C1)NC(N[C@@H](CCCC)COC(N(CC3=CC=CS3)CC4=CC=CS4)=O)=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 601.733 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Vanderslice P, Biediger RJ, Woodside DG, Brown WS, Khounlo S, Warier ND, Gundlach CW 4th, Caivano AR, Bornmann WG, Maxwell DS, McIntyre BW, Willerson JT, Dixon RA. Small molecule agonist of very late antigen-4 (VLA-4) integrin induces progenitor cell adhesion. J Biol Chem. 2013 Jul 5;288(27):19414-28. doi: 10.1074/jbc.M113.479634. Epub 2013 May 23. PMID: 23703610; PMCID: PMC3707645.

THI0019

5.0mg / USD 450.0