HTS01037 | CAS#682741-29-3 | FABP Inhibitor

MedKoo Cat#: 531956 | Name: HTS01037

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Description:

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

HTS01037 is an inhibitor of fatty acid binding proteins (FABPs), which acts as an antagonist of protein-protein interactions mediated by FABPs, in particular adipocyte FABP.

Chemical Structure

HTS01037

CAS#682741-29-3

Theoretical Analysis

MedKoo Cat#: 531956

Name: HTS01037

CAS#: 682741-29-3

Chemical Formula: C14H11NO5S2

Exact Mass: 337.0079

Molecular Weight: 337.36

Elemental Analysis: C, 49.84; H, 3.29; N, 4.15; O, 23.71; S, 19.01

Price and Availability

Size	Price	Availability
5mg	USD 285.00	2 Weeks
10mg	USD 450.00	2 Weeks
25mg	USD 850.00	2 Weeks

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Related CAS #

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Synonym

HTS01037; HTS 01037; HTS-01037.

IUPAC/Chemical Name

(E)-4-[(2-methoxycarbonyl-5-thiophen-2-ylthiophen-3-yl)amino]-4-oxobut-2-enoic acid

InChi Key

GJODSFZNKNHKML-SNAWJCMRSA-N

InChi Code

InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+

SMILES Code

O=C(O)/C=C/C(NC1=C(C(OC)=O)SC(C2=CC=CS2)=C1)=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

>2 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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

HTS01037 is an inhibitor of fatty acid binding; and a competitive antagonist of protein-protein interactions mediated by AFABP/aP2 with a Ki of 0.67 μM.

In vitro activity:

As predicted, this study found that PA (palmitic acid) increased ROS production in BV2 cells (Fig 6; p<0.0001 PA vs. C), and that PA-induced ROS production was attenuated in BV2 cells when pretreated with the FABP inhibitor HTS01037 (Fig 6; p<0.001 vs. HTS and HTS+PA). Reference: Mol Cell Neurosci. 2017 Apr;80:52-57. https://pubmed.ncbi.nlm.nih.gov/28214555/

In vivo activity:

1 (HTS01037) significantly reduced the LPS stimulated release of all three inflammatory cytokines measured (Figure 6), similar to the AFABP/aP2 knockout macrophages. These results are consistent with 1 acting in macrophages as an antagonist of AFABP/aP2 function. Reference: J Med Chem. 2009 Oct 8;52(19):6024-31. https://pubmed.ncbi.nlm.nih.gov/19754198/

	Solvent	mg/mL	mM
Solubility
	DMF	3.0	8.89
	DMSO	77.5	229.72
	DMSO:PBS (pH 7.2) (1:10)	0.1	0.30

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 337.36 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.

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

Formulation protocol:

1. Duffy CM, Xu H, Nixon JP, Bernlohr DA, Butterick TA. Identification of a fatty acid binding protein4-UCP2 axis regulating microglial mediated neuroinflammation. Mol Cell Neurosci. 2017 Apr;80:52-57. doi: 10.1016/j.mcn.2017.02.004. Epub 2017 Feb 16. PMID: 28214555; PMCID: PMC5399884. 2. Xu H, Hertzel AV, Steen KA, Wang Q, Suttles J, Bernlohr DA. Uncoupling lipid metabolism from inflammation through fatty acid binding protein-dependent expression of UCP2. Mol Cell Biol. 2015 Mar;35(6):1055-65. doi: 10.1128/MCB.01122-14. Epub 2015 Jan 12. PMID: 25582199; PMCID: PMC4333098. 3. Hertzel AV, Hellberg K, Reynolds JM, Kruse AC, Juhlmann BE, Smith AJ, Sanders MA, Ohlendorf DH, Suttles J, Bernlohr DA. Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J Med Chem. 2009 Oct 8;52(19):6024-31. doi: 10.1021/jm900720m. PMID: 19754198; PMCID: PMC2755644.

In vitro protocol:

In vivo protocol:

1. Hertzel AV, Hellberg K, Reynolds JM, Kruse AC, Juhlmann BE, Smith AJ, Sanders MA, Ohlendorf DH, Suttles J, Bernlohr DA. Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J Med Chem. 2009 Oct 8;52(19):6024-31. doi: 10.1021/jm900720m. PMID: 19754198; PMCID: PMC2755644.

1: Duffy CM, Xu H, Nixon JP, Bernlohr DA, Butterick TA. Identification of a fatty acid binding protein4-UCP2 axis regulating microglial mediated neuroinflammation. Mol Cell Neurosci. 2017 Feb 15. pii: S1044-7431(16)30163-4. doi: 10.1016/j.mcn.2017.02.004. [Epub ahead of print] PubMed PMID: 28214555. 2: Boss M, Kemmerer M, Brüne B, Namgaladze D. FABP4 inhibition suppresses PPARγ activity and VLDL-induced foam cell formation in IL-4-polarized human macrophages. Atherosclerosis. 2015 Jun;240(2):424-30. doi: 10.1016/j.atherosclerosis.2015.03.042. PubMed PMID: 25897794. 3: Xu H, Hertzel AV, Steen KA, Wang Q, Suttles J, Bernlohr DA. Uncoupling lipid metabolism from inflammation through fatty acid binding protein-dependent expression of UCP2. Mol Cell Biol. 2015 Mar;35(6):1055-65. doi: 10.1128/MCB.01122-14. PubMed PMID: 25582199; PubMed Central PMCID: PMC4333098. 4: Long EK, Hellberg K, Foncea R, Hertzel AV, Suttles J, Bernlohr DA. Fatty acids induce leukotriene C4 synthesis in macrophages in a fatty acid binding protein-dependent manner. Biochim Biophys Acta. 2013 Jul;1831(7):1199-207. PubMed PMID: 24046860. 5: Long EK, Hellberg K, Foncea R, Hertzel AV, Suttles J, Bernlohr DA. Fatty acids induce leukotriene C4 synthesis in macrophages in a fatty acid binding protein-dependent manner. Biochim Biophys Acta. 2012 Jul;1831(7):1199-207. doi: 10.1016/j.bbalip.2013.04.004. PubMed PMID: 23583845; PubMed Central PMCID: PMC3672270. 6: Hertzel AV, Hellberg K, Reynolds JM, Kruse AC, Juhlmann BE, Smith AJ, Sanders MA, Ohlendorf DH, Suttles J, Bernlohr DA. Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. J Med Chem. 2009 Oct 8;52(19):6024-31. doi: 10.1021/jm900720m. PubMed PMID: 19754198; PubMed Central PMCID: PMC2755644.