| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
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| ln Vitro |
RAS/RAS-RAF-IN-1 (Compound 89) possesses an EC50 of 0.5 μM-5.0 μM for disrupting BRAF-GTP-KRAS-G12C and an IC50 of 1.0 μM-10 μM for inhibiting pERK in H358 cells [1].
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|---|---|
| References |
| Molecular Formula |
C45H57N7O7
|
|---|---|
| Molecular Weight |
807.98
|
| Exact Mass |
807.431
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| CAS # |
2447039-81-6
|
| PubChem CID |
162642485
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| Appearance |
White to light yellow solid powder
|
| LogP |
5.2
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| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
59
|
| Complexity |
1660
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
C(C1=CN2CC(COC([C@]3([H])CCCN(C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C([C@H]4CCN(C(=O)C=C)C4)=O)CC4C=C(O)C=C(C=4)C4=CC=C1C2=C4)N3)=O)(C)C)(C)(C)C#N
|
| InChi Key |
RCXSKUOUWMZVFF-NXCZKTMTSA-N
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| InChi Code |
InChI=1S/C45H57N7O7/c1-9-38(54)50-16-14-30(22-50)41(56)49(8)39(27(2)3)40(55)47-36-19-28-17-31(20-32(53)18-28)29-12-13-33-34(45(6,7)24-46)23-51(37(33)21-29)25-44(4,5)26-59-43(58)35-11-10-15-52(48-35)42(36)57/h9,12-13,17-18,20-21,23,27,30,35-36,39,48,53H,1,10-11,14-16,19,22,25-26H2,2-8H3,(H,47,55)/t30-,35-,36-,39-/m0/s1
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| Chemical Name |
(3S)-N-[(2S)-1-[[(8S,14S)-22-(2-cyanopropan-2-yl)-4-hydroxy-18,18-dimethyl-9,15-dioxo-16-oxa-10,20,28-triazapentacyclo[18.5.2.12,6.110,14.023,27]nonacosa-1(26),2,4,6(29),21,23(27),24-heptaen-8-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide
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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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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 : ~200 mg/mL (~247.53 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 6 mg/mL (7.43 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 60.0 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. Solubility in Formulation 2: ≥ 5 mg/mL (6.19 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 50.0 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 | 1.2377 mL | 6.1883 mL | 12.3765 mL | |
| 5 mM | 0.2475 mL | 1.2377 mL | 2.4753 mL | |
| 10 mM | 0.1238 mL | 0.6188 mL | 1.2377 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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