| Size | Price | Stock | Qty |
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| 100mg |
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| 500mg |
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| 1g | |||
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| Targets |
HPPE targets Bach1 (BTB domain and CNC homolog 1), a transcription factor of the cap'n'collar type basic region leucine zipper factor family (CNC-bZip). Bach1 negatively regulates genes involved in mitochondrial metabolism and glucose utilization. HPPE is a specific non-electrophilic Bach1 inhibitor that binds to the heme-binding site of the Bach1 protein. By inhibiting Bach1, HPPE enhances mitochondrial function and metabolic activity. It relieves Bach1-mediated repression and leads to the derepression of Bach1 target genes such as Hmox1.
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| ln Vitro |
In vitro, HPPE is a specific non-electrophilic Bach1 inhibitor. It binds to the heme-binding site of Bach1 protein. By inhibiting Bach1, it derepresses Bach1-mediated repression. The compound's mechanism involves relieving Bach1-mediated inhibition of target genes such as Hmox1. HPPE has been shown to enhance mitochondrial function in cellular models.
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| ln Vivo |
In vivo, HPPE mediates Hmox1 mRNA upregulation through Bach1 inhibition. It is being explored for therapeutic potential in diseases characterized by metabolic dysregulation and inflammation, including psoriasis, multiple sclerosis (MS), and chronic obstructive pulmonary disease (COPD). The compound is orally active, supporting its potential for in vivo applications.
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| Enzyme Assay |
The binding of HPPE to Bach1 is assessed using binding assays with recombinant Bach1 protein or heme-binding site assays. Inhibition of Bach1-mediated repression is measured using reporter gene assays. Typical protocols involve incubating the compound with Bach1 protein and measuring displacement of a labeled heme probe or assessing transcriptional activity in reporter systems.
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| Cell Assay |
The cellular activity of HPPE is evaluated in Bach1-expressing cell lines. Cells are treated with the compound, and Bach1 target gene expression (e.g., Hmox1) is measured by qRT-PCR. Bach1-mediated repression is assessed by measuring downstream gene expression. Mitochondrial function is evaluated by measuring oxygen consumption rate and ATP production.
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| Animal Protocol |
In vivo efficacy of HPPE is evaluated in animal models of inflammatory diseases. Animals are administered the compound orally, and disease severity and inflammatory markers are assessed. Tissue samples are collected for analysis of Hmox1 expression and Bach1 target gene regulation.
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| ADME/Pharmacokinetics |
HPPE has a molecular formula of C21H20F3N5O3S and a molecular weight of 479.48 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxamide. It is soluble in DMSO (96 mg/mL). For storage, the powder should be kept at -20°C. For in vivo administration, formulations include CMC-Na suspension or 5% DMSO/40% PEG300/5% Tween80/50% ddH2O.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for HPPE are limited. The compound is intended for research use only. Standard laboratory safety precautions should be followed when handling this compound.
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| References |
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| Additional Infomation |
HPPE (Bach1-IN-1) is a potent, orally active Bach1 inhibitor. It is a valuable tool for studying Bach1-related pathways and inflammatory disease mechanisms. The compound has potential therapeutic applications in psoriasis, multiple sclerosis, and COPD. It has been cited in Nature Medicine for its top-tier quality.
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| Molecular Formula |
C21H20F3N5O3S
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|---|---|
| Molecular Weight |
479.475413322449
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| Exact Mass |
479.12
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| Elemental Analysis |
C, 52.61; H, 4.20; F, 11.89; N, 14.61; O, 10.01; S, 6.69
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| CAS # |
1325721-55-8
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| PubChem CID |
86656888
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| Appearance |
White to off-white solid powder
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| LogP |
3.4
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
33
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| Complexity |
676
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(NC2=NC3=CC=C(C(F)(F)F)C=C3S2)N(C)C2=CC=C(C(NCCOCCO)=O)C=C2N=1
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| InChi Key |
BJSHVWKLYLAKTP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H20F3N5O3S/c1-29-16-5-2-12(18(31)25-6-8-32-9-7-30)10-15(16)26-19(29)28-20-27-14-4-3-13(21(22,23)24)11-17(14)33-20/h2-5,10-11,30H,6-9H2,1H3,(H,25,31)(H,26,27,28)
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| Chemical Name |
N-(2-(2-hydroxyethoxy)ethyl)-1-methyl-2-((6-(trifluoromethyl)benzo[d]thiazol-2-yl)amino)-1H-benzo[d]imidazole-5-carboxamide
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| Synonyms |
HPPE
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~260.70 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0856 mL | 10.4280 mL | 20.8559 mL | |
| 5 mM | 0.4171 mL | 2.0856 mL | 4.1712 mL | |
| 10 mM | 0.2086 mL | 1.0428 mL | 2.0856 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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