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MedKoo Cat#: 525381 | Name: HG-14-10-04
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

HG-14-10-04 is a novel potent and specific ALK inhibitor.

Chemical Structure

HG-14-10-04
HG-14-10-04
CAS#1356962-34-9

Theoretical Analysis

MedKoo Cat#: 525381

Name: HG-14-10-04

CAS#: 1356962-34-9

Chemical Formula: C29H34ClN7O

Exact Mass: 531.2513

Molecular Weight: 532.09

Elemental Analysis: C, 65.46; H, 6.44; Cl, 6.66; N, 18.43; O, 3.01

Price and Availability

Size Price Availability Quantity
100mg USD 650.00 2 Weeks
200mg USD 1,050.00 2 Weeks
500mg USD 1,950.00 2 Weeks
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Related CAS #
No Data
Synonym
HG-14-10-04; HG 14-10-04; HG14-10-04; HG-141004; HG 141004; HG141004;
IUPAC/Chemical Name
[5-Chloro-4-(1H-indol-3-yl)-pyrimidin-2-yl]-{2-methoxy-4-[4-(4-methyl-piperazin-1-yl)-piperidin-1-yl]-phenyl}-amine
InChi Key
HRYNCLKDKCPYBF-UHFFFAOYSA-N
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)
SMILES Code
CN1CCN(C2CCN(C3=CC=C(NC4=NC=C(Cl)C(C5=CNC6=C5C=CC=C6)=N4)C(OC)=C3)CC2)CC1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Certificate of Analysis
View CoA: current batch, Lot#C20M01C21
Safety Data Sheet (SDS)
View Safety Data Sheet (SDS)
Instruction
View handling instruction
Biological target:
HG-14-10-04 is a potent ALK and mutant EGFR inhibitor with IC50s of 20 nM, 15.6 nM, 22.6 nM and 124.5 nM for ALK, EGFRLR/TM, EGFR19del/TM/CS and EGFRLR/TM/CS, respectively. HG-14-10-04 can be used to research anticancer.
In vitro activity:
Representative compound 18j potently inhibited EGFR19del/T790M/C797S and EGFRL858R/T790M/C797S mutants with IC50 values of 15.8 and 23.6 nM and suppressed Ba/F3-EGFRL858R/T790M/C797S and Ba/F3-EGFR19del/T790M/C797S cells with IC50 values of 0.036 and 0.052 μM, respectively, which is 10-20-fold more potent than brigatinib. 18j also potently inhibited the EGFR19del/T790M/C797S-mutated PC-9-OR NSCLC cell proliferation with an IC50 value of 0.644 μM but was less potent for parental Ba/F3 and A431 cells. Reference: J Med Chem. 2022 May 12;65(9):6840-6858. https://pubmed.ncbi.nlm.nih.gov/35446588/
In vivo activity:
TBD
Solvent mg/mL mM
Solubility
DMSO 15.0 28.19
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 532.09 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
1. Chen H, Lai M, Zhang T, Chen Y, Tong L, Zhu S, Zhou Y, Ren X, Ding J, Xie H, Lu X, Ding K. Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J Med Chem. 2022 May 12;65(9):6840-6858. doi: 10.1021/acs.jmedchem.2c00168. Epub 2022 Apr 21. PMID: 35446588.
In vitro protocol:
1. Chen H, Lai M, Zhang T, Chen Y, Tong L, Zhu S, Zhou Y, Ren X, Ding J, Xie H, Lu X, Ding K. Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J Med Chem. 2022 May 12;65(9):6840-6858. doi: 10.1021/acs.jmedchem.2c00168. Epub 2022 Apr 21. PMID: 35446588.
In vivo protocol:
TBD
Chen H, Lai M, Zhang T, Chen Y, Tong L, Zhu S, Zhou Y, Ren X, Ding J, Xie H, Lu X, Ding K. Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J Med Chem. 2022 May 12;65(9):6840-6858. doi: 10.1021/acs.jmedchem.2c00168. Epub 2022 Apr 21. PMID: 35446588.