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MedKoo Cat#: 533262 | Name: TBC-3486

Description:

WARNING: This product is for research use only, not for human or veterinary use.

TBC-3486 is a novel potent inhibitor of integrin α4. TBC3486 preferentially targets the high affinity conformation of α4β1 and behaves as a ligand mimetic. The antagonist is capable of blocking integrin-dependent T-cell co-activation in vitro as well as proves to be efficacious in vivo at low doses in two animal models of allergic inflammation. TBC 3486 effectively delayed and reduced the acute (but not chronic) phase of EAE, and this amelioration correlated with changes in the inflammatory molecule profile.

Chemical Structure

TBC-3486
TBC-3486
CAS#247044-77-5

Theoretical Analysis

MedKoo Cat#: 533262

Name: TBC-3486

CAS#: 247044-77-5

Chemical Formula: C27H31N3O6S2

Exact Mass: 557.1654

Molecular Weight: 557.68

Elemental Analysis: C, 58.15; H, 5.60; N, 7.53; O, 17.21; S, 11.50

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
TBC-3486; TBC 3486 TBC3486
IUPAC/Chemical Name
(3S)-3-(1,3-Benzodioxol-5-yl)-3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]propanoic acid
InChi Key
DWNIDSJEAZSEJG-VXKWHMMOSA-N
InChi Code
InChI=1S/C27H31N3O6S2/c1-2-3-8-21(26(33)30(15-19-6-4-11-37-19)16-20-7-5-12-38-20)28-27(34)29-22(14-25(31)32)18-9-10-23-24(13-18)36-17-35-23/h4-7,9-13,21-22H,2-3,8,14-17H2,1H3,(H,31,32)(H2,28,29,34)/t21-,22-/m0/s1
SMILES Code
O=C(O)C[C@@H](C1=CC=C(OCO2)C2=C1)NC(N[C@@H](CCCC)C(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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 557.68 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
1: Hsieh YT, Gang EJ, Shishido SN, Kim HN, Pham J, Khazal S, Osborne A, Esguerra ZA, Kwok E, Jang J, Bonig H, Biediger RJ, Vanderslice P, Kim YM. Effects of the small-molecule inhibitor of integrin α4, TBC3486, on pre-B-ALL cells. Leukemia. 2014 Oct;28(10):2101-4. doi: 10.1038/leu.2014.182. Epub 2014 Jun 6. PMID: 24903479; PMCID: PMC4190402. 2: Vanderslice P, Woodside DG, Caivano AR, Decker ER, Munsch CL, Sherwood SJ, Lejeune WS, Miyamoto YJ, McIntyre BW, Tilton RG, Dixon RA. Potent in vivo suppression of inflammation by selectively targeting the high affinity conformation of integrin α4β1. Biochem Biophys Res Commun. 2010 Oct 1;400(4):619-24. doi: 10.1016/j.bbrc.2010.08.114. Epub 2010 Aug 31. PMID: 20807504. 3: Cannella B, Gaupp S, Tilton RG, Raine CS. Differential efficacy of a synthetic antagonist of VLA-4 during the course of chronic relapsing experimental autoimmune encephalomyelitis. J Neurosci Res. 2003 Feb 1;71(3):407-16. doi: 10.1002/jnr.10487. PMID: 12526029.