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| 5mg |
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| 25mg |
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Purity: ≥98%
XL888 (XL-888; XL 888) is an orally bioavailable, ATP-competitive inhibitor of HSP90 (Heat Shock Protein 90) with potential antitumor activity. It inhibits HSP90 with an IC50 of 24 nM. It exhibits excellent in vivo antitumor efficacy in mice bearing M229R xenografts
| ln Vitro |
An inhibitor of heat shock protein-90 (HSP90) is called XL888. All of the cell lines grow less when treated with XL888 in a dose-dependent manner; however, there is no discernible difference in the IC50 values between the resistant and naive cell line pairs (t=0.25, p=0.82). XL888 (300 nM) treatment of all vemurafenib-resistant cell lines results in high levels (>66%) of caspase-3 cleavage, apoptosis, and loss of mitochondrial membrane potential (TMRM) in all examined cell lines. XL888 (300 nM) treatment of naïve, inherently resistant, and acquired vemurafenib-resistant cell lines results in strong time-dependent increases in HSP70 isoform 1 (HSP71) expression[2].
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| ln Vivo |
XL888 (125 mg/kg, three times a week) treatment of the existing M245 tumors results in a considerable (P=0.017) slowdown of tumor growth with no effect on animal weights. Following XL888 treatment, intratumoral HSP70 expression significantly increases, according to LC-MRM analysis of xenograft specimens[1]. The mice appear to be well-tolerated by the XL888, since no notable changes in body weight were noticed during the course of the trial. Intratumoral HSP70 expression is significantly (8.6-fold) higher in xenograft samples analyzed by LC-MRM mediated analysis after 15 days of XL888 treatment[2].
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| References |
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| Molecular Formula |
C29H37N5O3
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| Molecular Weight |
503.64
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| Exact Mass |
503.289
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| CAS # |
1149705-71-4
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| Related CAS # |
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| PubChem CID |
57748689
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| Appearance |
Off-white to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
695.1±55.0 °C at 760 mmHg
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| Flash Point |
374.2±31.5 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.634
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| LogP |
4.22
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
37
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| Complexity |
849
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC[C@@H](C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N
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| InChi Key |
LHGWWAFKVCIILM-CIQXWFTPSA-N
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| InChi Code |
InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21-,22+/m1/s1
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| Chemical Name |
5-((R)-sec-butylamino)-N1-((1R,3s,5S)-8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide
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| Synonyms |
XL-888; XL 888; XL888;
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.25 mg/mL (2.48 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 12.5 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: ≥ 1.25 mg/mL (2.48 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 12.5 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: ≥ 1.25 mg/mL (2.48 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 30% PEG400+0.5% Tween80+5% propylene glycol: 30mg/mL |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9855 mL | 9.9277 mL | 19.8555 mL | |
| 5 mM | 0.3971 mL | 1.9855 mL | 3.9711 mL | |
| 10 mM | 0.1986 mL | 0.9928 mL | 1.9855 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.
| NCT Number | Recruitment | interventions | Conditions | Sponsor/Collaborators | Start Date | Phases |
| NCT03095781 | Completed | Drug: XL888 Biological: Pembrolizumab |
Colorectal Adenocarcinoma Metastatic Pancreatic Adenocarcinoma |
Emory University | July 7, 2017 | Phase 1 |
| NCT02721459 | Active, not recruiting | Drug: XL888 Drug: Vemurafenib |
Melanoma Skin Cancer |
H. Lee Moffitt Cancer Center and Research Institute |
September 7, 2016 | Phase 1 |
| NCT00796484 | Terminated | Drug: XL888 | Cancer | Exelixis | November 2008 | Phase 1 |
| NCT01657591 | Completed | Drug: XL888 Drug: Vemurafenib |
Melanoma | H. Lee Moffitt Cancer Center and Research Institute |
July 27, 2012 | Phase 1 |
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