| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| ln Vitro |
The vasoconstrictor peptide family Endothelin (ET) has three distinct isomers: ET-1, ET2, and ET-3. It is composed of 21 amino acids. Vascular smooth muscle cells (VSMC), the heart, brain, and plasma all contain endothelin-3. Large Endothelin-3 is broken down by VSMC surface enzymes into the equivalent mature peptide Endothelin-3. In coronary VSMCs, endothelin-3 suppresses the production of endothelin ETA receptors without altering receptor density or functional ETA receptor responses. On the other hand, the vasoconstrictive response of the ETB receptor is abolished at high concentrations of Endothelin-3 (100 nM) owing to the desensitizing impact of Endothelin-3 [1]. ENCC adherence to different ECM components is stimulated by endothelin-3. Endothelin-3 causes quick modifications to the protrusion dynamics and morphology of ENCCs, which promotes lamellipodia growth and stabilization. This process is in line with an increase in focal adhesions and activated β1-integrin [2].
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|---|---|
| ln Vivo |
Endothelin-3 at low doses may reduce inflammatory reactions by producing NO and activating ETB2. At low doses, endothelin 3, which primarily works on ETB, particularly prevents platelet-activating factor (PAF)-induced paw edema, but endothelin 2, which acts on ETA and ETB, and ET-1 do not exhibit any inhibitory activity. The levels of inhibition exhibited by ET-1 and Endothelin-3 (0.5 pmol/paw) were found to be similar to those of Endothelin-3 (0.5 pmol/paw) when BQ-123 was present (66.4 ± 6.7% and 65.4 ± 22.6%, respectively). paw) by itself (65.4 ± 10.9%), whereas in the presence of BQ-788, neither ET-1 nor endothelin-3 exhibited inhibitory action [3].
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| References |
|
| Molecular Formula |
C₁₂₁H₁₆₈N₂₆O₃₃S₄
|
|---|---|
| Molecular Weight |
2643.04
|
| Exact Mass |
2641.11
|
| CAS # |
117399-93-6
|
| Related CAS # |
Endothelin-3, human, mouse, rabbit, rat TFA
|
| PubChem CID |
16180095
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
6.339
|
| Hydrogen Bond Donor Count |
34
|
| Hydrogen Bond Acceptor Count |
41
|
| Rotatable Bond Count |
49
|
| Heavy Atom Count |
184
|
| Complexity |
5720
|
| Defined Atom Stereocenter Count |
25
|
| SMILES |
CC[C@@H]([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1CSSC[C@H](N)C(N[C@H](C(N[C@H]2CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC2=O)CC3=CC=CC=C3)=O)[C@H](O)C)=O)CC4=CC=C(O)C=C4)=O)CCCCN)=O)CC(O)=O)=O)CCCCN)=O)CCC(O)=O)=O)C(N[C@H](C(N[C@H](C(N[C@H](C(N1)=O)CC5=CC=C(O)C=C5)=O)CC6=CC=C(O)C=C6)=O)C(C)C)=O)=O)[C@H](O)C)=O)=O)CC7=CN=CN7)=O)CC(C)C)=O)CC(O)=O)=O)[C@H](CC)C)=O)C(N[C@H](C(O)=O)CC8=CNC9=CC=CC=C89)=O)C
|
| InChi Key |
OQGZWNZGVYLIFX-JQWUVQPESA-N
|
| InChi Code |
InChI=1S/C121H168N26O33S4/c1-11-62(7)97(117(175)139-89(121(179)180)49-70-53-126-77-25-17-16-24-75(70)77)145-118(176)98(63(8)12-2)144-112(170)88(52-95(157)158)136-105(163)81(44-60(3)4)131-109(167)86(50-71-54-125-59-127-71)134-113(171)90-56-182-181-55-76(124)101(159)146-99(64(9)148)120(178)142-91-57-183-184-58-92(115(173)143-96(61(5)6)116(174)137-84(48-69-32-38-74(152)39-33-69)107(165)132-82(108(166)141-90)46-67-28-34-72(150)35-29-67)140-104(162)80(40-41-93(153)154)130-102(160)78(26-18-20-42-122)129-110(168)87(51-94(155)156)135-103(161)79(27-19-21-43-123)128-106(164)83(47-68-30-36-73(151)37-31-68)138-119(177)100(65(10)149)147-111(169)85(133-114(91)172)45-66-22-14-13-15-23-66/h13-17,22-25,28-39,53-54,59-65,76,78-92,96-100,126,148-152H,11-12,18-21,26-27,40-52,55-58,122-124H2,1-10H3,(H,125,127)(H,128,164)(H,129,168)(H,130,160)(H,131,167)(H,132,165)(H,133,172)(H,134,171)(H,135,161)(H,136,163)(H,137,174)(H,138,177)(H,139,175)(H,140,162)(H,141,166)(H,142,178)(H,143,173)(H,144,170)(H,145,176)(H,146,159)(H,147,169)(H,153,154)(H,155,156)(H,157,158)(H,179,180)/t62-,63-,64+,65+,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,96-,97-,98-,99-,100-/m0/s1
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| Chemical Name |
(3S)-3-[[(2S)-2-[[(2S)-2-[[(1R,4S,7S,10S,13S,16S,19S,22S,25R,28S,31R,36R,39S,42S,45S)-31-amino-7,13-bis(4-aminobutyl)-22-benzyl-4-(2-carboxyethyl)-10-(carboxymethyl)-19,28-bis[(1R)-1-hydroxyethyl]-16,39,42-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18,21,24,27,30,38,41,44,47-tetradecaoxo-45-propan-2-yl-33,34,49,50-tetrathia-2,5,8,11,14,17,20,23,26,29,37,40,43,46-tetradecazabicyclo[23.22.4]henpentacontane-36-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 0.3784 mL | 1.8918 mL | 3.7835 mL | |
| 5 mM | 0.0757 mL | 0.3784 mL | 0.7567 mL | |
| 10 mM | 0.0378 mL | 0.1892 mL | 0.3784 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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