Physicochemical Properties
| Molecular Formula | C178H248N44O45S7 |
| Exact Mass | 3946.654 |
| CAS # | 1233152-82-3 |
| PubChem CID | 121513878 |
| Appearance | White to off-white solid powder |
| LogP | -10.1 |
| Hydrogen Bond Donor Count | 45 |
| Hydrogen Bond Acceptor Count | 57 |
| Rotatable Bond Count | 59 |
| Heavy Atom Count | 274 |
| Complexity | 9420 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S(C)CCC(C(N1CCCC1C(=O)O)=O)NC(C1CCCN1C(C(CC1C=CC=CC=1)NC(C(CC(N)=O)NC(C1CSSCC2C(NC3CSSCC(C(NCC(NCC(NC(CC4C=CC=CC=4)C(NC(CC4=CNC5C=CC=CC4=5)C(NC(CC4=CNC5C=CC=CC4=5)C(NC(CCCCN)C(NC(C(NCC(NC(CO)C(NCC(NC(CCCCN)C(N4CCCC4C(NC(C)C(N2)=O)=O)=O)=O)=O)=O)=O)CSSCC(C(NC(CO)C(N2CCCC2C(NC(C(NC(C(NCC(NC(CC(C)C)C(N1)=O)=O)=O)CC1=CNC2C=CC=CC1=2)=O)CCCCN)=O)=O)=O)NC(C(C(C)C)NC(C(CC1C=CC(=CC=1)O)NC(C(CCCCN)NC(C1CCCN1C3=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC(C(CCC(=O)O)NC(CNC(C(CCC(=O)O)N)=O)=O)=O)=O)=O)=O)=O)=O |
| InChi Key | SZVUKNYCMKWHNH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C178H248N44O45S7/c1-95(2)70-118-159(247)214-131(165(253)208-124(77-139(184)226)163(251)209-125(73-99-34-11-8-12-35-99)175(263)219-65-28-49-137(219)171(259)203-117(59-69-268-6)174(262)222-68-31-50-138(222)178(266)267)92-272-271-91-130-167(255)216-133-94-274-270-90-128(213-158(246)115(56-58-147(235)236)195-142(229)83-189-150(238)108(183)55-57-146(233)234)153(241)190-81-140(227)188-82-141(228)198-119(71-98-32-9-7-10-33-98)160(248)206-123(76-103-80-187-111-41-18-15-38-107(103)111)162(250)207-122(75-102-79-186-110-40-17-14-37-106(102)110)161(249)200-112(42-19-23-60-179)157(245)212-129(154(242)193-86-145(232)199-126(87-223)152(240)192-84-143(230)196-116(45-22-26-63-182)173(261)218-64-27-46-134(218)168(256)194-97(5)149(237)211-130)89-269-273-93-132(215-172(260)148(96(3)4)217-164(252)120(72-100-51-53-104(225)54-52-100)204-155(243)113(43-20-24-61-180)201-170(258)136-48-30-67-221(136)177(133)265)166(254)210-127(88-224)176(264)220-66-29-47-135(220)169(257)202-114(44-21-25-62-181)156(244)205-121(151(239)191-85-144(231)197-118)74-101-78-185-109-39-16-13-36-105(101)109/h7-18,32-41,51-54,78-80,95-97,108,112-138,148,185-187,223-225H,19-31,42-50,55-77,81-94,179-183H2,1-6H3,(H2,184,226)(H,188,227)(H,189,238)(H,190,241)(H,191,239)(H,192,240)(H,193,242)(H,194,256)(H,195,229)(H,196,230)(H,197,231)(H,198,228)(H,199,232)(H,200,249)(H,201,258)(H,202,257)(H,203,259)(H,204,243)(H,205,244)(H,206,248)(H,207,250)(H,208,253)(H,209,251)(H,210,254)(H,211,237)(H,212,245)(H,213,246)(H,214,247)(H,215,260)(H,216,255)(H,217,252)(H,233,234)(H,235,236)(H,266,267) |
| Chemical Name | 1-[2-[[1-[2-[[4-amino-4-oxo-2-[[13,42,57,89-tetrakis(4-aminobutyl)-75-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]acetyl]amino]-4-carboxybutanoyl]amino]-66-benzyl-4,48-bis(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-16,60,63-tris(1H-indol-3-ylmethyl)-33-methyl-22-(2-methylpropyl)-2,3a,5,11,14,17,20,23,32,35,41,44,47,50,53,56,59,62,65,68,71,74,81,87,90,93,96-heptacosaoxo-95-propan-2-yl-a,27,28,77,78,99-hexathia-2a,3,6,12,15,18,21,24,31,34,40,43,46,49,52,55,58,61,64,67,70,73,82,88,91,94,97-heptacosazahexacyclo[52.43.4.230,80.06,10.036,40.082,86]trihectane-25-carbonyl]amino]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid |
| 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 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) |
Biological Activity
| Targets | IC50: 1-3 nM (KV2 channels); 24-54 nM (KV4.3 channels)[2] |
| ln Vitro | Guangxitoxin 1E has an IC50 of 1-3 nM for KV2 inhibition, however it has no discernible effect on the potassium channels KV1.2, KV1.3, KV1.5, KV3.2, and BK, nor on the calcium and sodium channels CaV1.2,caV2. When it comes to KV4.3 channels, the IC50 is 24-54 nM[2], while it is 2, NaV1.5, NaV1.7, and NaV1.8. 90% of IDR and KV2 are inhibited by Guangxitoxin 1E in mouse β-cells. 1. As gating-modifier peptides are known to do, this causes the voltage dependency of channel activation to shift to greater depolarized potentials. Guangxitoxin 1E increases insulin production from mice pancreatic islets in a glucose-dependent manner, augments intracellular calcium oscillations induced by glucose, and broadens the β-cell action potential[2]. |
| References |
[1]. Physiological roles of Kv2 channels in entorhinal cortex layer II stellate cells revealed by Guangxitoxin-1E. J Physiol. 2017 Feb 1;595(3):739-757. [2]. Blockers of the delayed-rectifier potassium current in pancreatic beta-cells enhance glucose-dependent insulin secretion. Diabetes. 2006 Apr;55(4):1034-42. |
Solubility Data
| Solubility (In Vitro) | H2O: ≥ 1 mg/mL (0.25 mM) |
| 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 (e.g. IP/IV/IM/SC) Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline) *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). 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)] *Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin → 500 μL Saline) Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO → 100 μLPEG300 → 200 μL castor oil → 650 μL Saline) Injection Formulation 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (i.e. 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline) Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH → 900 μL Corn oil) Injection Formulation 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH → 400 μLPEG300 → 50 μL Tween 80 → 450 μL 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). Oral Formulation 3: Dissolved in PEG400 Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose Oral Formulation 6: Mixing with food powders Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently. (Please use freshly prepared in vivo formulations for optimal results.) |