| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 25mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| 250mg |
|
KGP94 is a novel, potent, reversible, time-dependent and competitive inhibitor of human cysteine protease Cathepsin L inhibitor(CTSL). It inhibits the activity of cathepsin L toward human type I collagen. KGP94 significantly impedes both migration and invasion of MDA-MB-231 human breast cancer cells. Molecular modeling places the thiocarbonyl of KGP94 in proximity to the active site Cys25. Significant growth retardation of C3H mouse mammary carcinomas is achieved with KGP94 treatment [1,2]. KGP94 treatment led to marked attenuation of tumor cell invasion and migration under both normal and aberrant microenvironmental conditions suggesting that it may have significant utility as an anti-metastatic agent. [3]
| ln Vitro |
KGP94 (10 or 20 μM, 24 hours) decreases cell invasion of primary bone marrow-derived macrophages or Raw264.7 as well as the expression of M2 (macrophage) markers (Arginase-1 and CD206)[3]. Prostate cancer cells' and breast cancer cells' ability to invade is reduced by 53% and 88%, respectively, by KGP94 (25 μM, 24 hours) [4]. In PC-3ML and MDA-MB-231, KGP94 (25 μM, 24 hours) reduced secreted CTSL activity by 94% and 92%, respectively [4]. Assay for cell invasion[4]
|
|---|---|
| ln Vivo |
In a prostate cancer bone metastasis model, KGP94 (ip; 20 mg/kg; once daily for three days) demonstrates anti-metastatic and anti-bone resorbtive effects [5].
|
| Cell Assay |
Cell invasion assay[4]
Cell Types: PC-3ML, MDA-MB-231 Tested Concentrations: 10 μM, 25 μM Incubation Duration: 24 hrs (hours) Experimental Results: Attenuated migration and invasion of prostate and breast cancer cells. |
| Animal Protocol |
Animal/Disease Models: NCR nu/nu male mice [5]
Doses: 20 mg/kg Route of Administration: intraperitoneal (ip) injection; one time/day for 3 days Experimental Results: Metastatic tumor load was diminished by 65%, tumor angiogenesis was diminished by 58%, and increased Survival rate of mice with bone metastasis. |
| References |
|
| Molecular Formula |
C14H12BRN3OS
|
|---|---|
| Molecular Weight |
350.233580589294
|
| Exact Mass |
348.988
|
| CAS # |
1131456-28-4
|
| Related CAS # |
1131456-28-4
|
| PubChem CID |
52944285
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.4
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
20
|
| Complexity |
377
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
BrC1=CC=CC(=C1)/C(/C1C=CC=C(C=1)O)=N\NC(N)=S
|
| InChi Key |
ZDBKSZKTCPOBFR-GHRIWEEISA-N
|
| InChi Code |
InChI=1S/C14H12BrN3OS/c15-11-5-1-3-9(7-11)13(17-18-14(16)20)10-4-2-6-12(19)8-10/h1-8,19H,(H3,16,18,20)/b17-13+
|
| Chemical Name |
[(Z)-[(3-bromophenyl)-(3-hydroxyphenyl)methylidene]amino]thiourea
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~285.53 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.14 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (7.14 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8553 mL | 14.2763 mL | 28.5527 mL | |
| 5 mM | 0.5711 mL | 2.8553 mL | 5.7105 mL | |
| 10 mM | 0.2855 mL | 1.4276 mL | 2.8553 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
