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Purity: ≥98%
HG-14-10-04 is a novel, potent and specific ALK (Anaplastic lymphoma kinase) inhibitor with IC50 of 20 The anaplastic lymphoma kinase (ALK) gene plays an important physiologic role in the development of the brain and can be oncogenically altered in several malignancies, including non-small-cell lung cancer (NSCLC) and anaplastic large cell lymphomas (ALCL).
| Targets |
EGFRLR/TM (IC50 = 15.6 nM); EGFR19del/TM/CS (IC50 = 22.6 nM); EGFRLR/TM/CS (IC50 = 124.5 nM); ALK (IC50 = 20 nM)
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|---|---|
| ln Vitro |
HG-14-10-04 (example 10) exhibits 20 nM IC50 inhibitory activity against ALK kinase[1].
HG-14-10-04 (compound 17b) has IC50 values of 15.6 nM, 22.6 nM, and 124.5 nM, respectively, demonstrating kinase inhibitory activity against EGFRLR/TM, EGFR19del/TM/CS, and EGFRLR/TM/CS[2]. |
| References | |
| Additional Infomation |
5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-2-pyrimidinamine is a member of piperidines.
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| Molecular Formula |
C29H34CLN7O
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|---|---|
| Molecular Weight |
532.0796
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| Exact Mass |
531.251
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| Elemental Analysis |
C, 65.46; H, 6.44; Cl, 6.66; N, 18.43; O, 3.01
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| CAS # |
1356962-34-9
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| Related CAS # |
1356962-34-9
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| PubChem CID |
56655374
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5.26
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
38
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| Complexity |
746
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C([H])N=C(N=C1C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)N([H])C1C([H])=C([H])C(=C([H])C=1OC([H])([H])[H])N1C([H])([H])C([H])([H])C([H])(C([H])([H])C1([H])[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H]
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| InChi Key |
HRYNCLKDKCPYBF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C29H34ClN7O/c1-35-13-15-37(16-14-35)20-9-11-36(12-10-20)21-7-8-26(27(17-21)38-2)33-29-32-19-24(30)28(34-29)23-18-31-25-6-4-3-5-22(23)25/h3-8,17-20,31H,9-16H2,1-2H3,(H,32,33,34)
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| Chemical Name |
5-chloro-4-(1H-indol-3-yl)-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine
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| Synonyms |
HG-141004; HG 141004; HG141004; HG-14-10-04; HG 14-10-04; HG 14-10-04
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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) |
DMSO: 10~20 mg/mL (18.8~37.6 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2 mg/mL (3.76 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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 20.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8794 mL | 9.3971 mL | 18.7942 mL | |
| 5 mM | 0.3759 mL | 1.8794 mL | 3.7588 mL | |
| 10 mM | 0.1879 mL | 0.9397 mL | 1.8794 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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