| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
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| ln Vitro |
Olcegepant binds to the human CGRP receptor with a greater affinity than both the peptide antagonist CGRP8-37 and the natural ligand CGRP, by a factor of 150. Olcegepant reduces neurogenic vasodilation in animal surrogate models of migraine pathogenesis and reverses CGRP-mediated vasodilation in human cerebral arteries [1]. With an affinity (Ki) of 14.4±6.3 (n=4) pM for the human CGRP receptor, olegepant (BIBN4096BS) is incredibly potent against the primate CGRP receptor [2]. An innovative treatment for migraine may involve the use of calcitonin gene-related peptide (CGRP) receptor antagonists, according to a number of lines of evidence. The CGRP receptor found in SK-N-MC cells is competitively antagonistic to olegepant (BIBN4096BS). With sensitive myograph technology, the isolated human brain, coronary arteries, and omental arteries were investigated. Olcegepant competitively opposes the concentration-dependent relaxation that CGRP produces [3].
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| ln Vivo |
At doses ranging from 1 to 30 μg/kg (iv), olegepant (BIBN4096BS) suppresses the impact of CGRP produced from the trigeminal ganglion on marmosets' facial blood flow [2]. The whole trigeminal nucleus's capsaicin-induced Fos expression was 57% reduced by olegepant pretreatment (900 μg/kg). On the other hand, Olcegepant pretreatment had no effect on the expression of phosphorylated extracellular signal-regulated kinase in the trigeminal ganglia [4]. In CCI-ION rats, olegepant (0.3 to 0.9 mg/kg, intravenously) dramatically decreased mechanical allodynia. Olcegepant (0.6 mg/kg, i.v.) increased ATF3 transcripts, an indication of neuronal damage, and markedly decreased the amount of c-Fos immunolabeled cells in the trigeminal nerve's spinal nucleus, but not in the CCI trigeminal ganglion. Rats with interleukin-6 ION [5].
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| References |
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| Molecular Formula |
C38H48BR2CLN9O5
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|---|---|
| Molecular Weight |
906.1060
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| Exact Mass |
905.181
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| CAS # |
586368-06-1
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| Related CAS # |
Olcegepant;204697-65-4
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| PubChem CID |
9919272
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
6
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
55
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| Complexity |
1250
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| Defined Atom Stereocenter Count |
2
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| SMILES |
BrC1C(=C(C([H])=C(C=1[H])C([H])([H])[C@]([H])(C(N([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C(N1C([H])([H])C([H])([H])N(C2C([H])=C([H])N=C([H])C=2[H])C([H])([H])C1([H])[H])=O)=O)N([H])C(N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N1C(N([H])C2=C([H])C([H])=C([H])C([H])=C2C1([H])[H])=O)=O)Br)O[H].Cl[H]
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| InChi Key |
GJAWDDNZNYEKMO-XWIRJDCTSA-N
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| InChi Code |
InChI=1S/C38H47Br2N9O5.ClH/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27;/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53);1H/t32-,33+;/m0./s1
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| Chemical Name |
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide;hydrochloride
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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 (e.g. under nitrogen), 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 : ~100 mg/mL (~110.36 mM)
H2O : ≥ 66.66 mg/mL (~73.57 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (5.52 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 50.0 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: ≥ 5 mg/mL (5.52 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 50.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 5 mg/mL (5.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.1036 mL | 5.5181 mL | 11.0362 mL | |
| 5 mM | 0.2207 mL | 1.1036 mL | 2.2072 mL | |
| 10 mM | 0.1104 mL | 0.5518 mL | 1.1036 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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