MedKoo Cat#: 564415 | Name: NSC781406
Featured

Description:

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

NSC781406 is a highly potent PI3K/mTOR dual inhibitor, exhibiting potent tumor growth inhibition in the hepatocellular carcinoma BEL-7404 xenograft model.

Chemical Structure

NSC781406
NSC781406
CAS#1676893-24-5

Theoretical Analysis

MedKoo Cat#: 564415

Name: NSC781406

CAS#: 1676893-24-5

Chemical Formula: C29H27F2N5O5S2

Exact Mass: 627.1422

Molecular Weight: 627.68

Elemental Analysis: C, 55.49; H, 4.34; F, 6.05; N, 11.16; O, 12.74; S, 10.22

Price and Availability

Size Price Availability Quantity
5mg USD 300.00 2 Weeks
10mg USD 550.00 2 Weeks
50mg USD 1,150.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
NSC-781406; NSC 781406; NSC781406
IUPAC/Chemical Name
2,4-Difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide
InChi Key
BBRINJUWZRLWKK-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
SMILES Code
O=S(C1=CC=C(F)C=C1F)(NC2=CC(C3=CC=C4N=CC=C(C#CCN5CCN(S(=O)(C)=O)CC5)C4=C3)=CN=C2OC)=O
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
>3 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
2934.99.03.00
More Info
Product Data
Biological target:
NSC781406 is a highly potent PI3K and mTOR inhibitor with an IC50 of 2 nM for PI3Kα.
In vitro activity:
Consistently, the proliferation ability of SW1990, Patu8988, BxPC-3, and CFPAC-1 cells reduced within 24 h after treatment with CC-223, NSC781406, and BGT226 inhibitors (Figures 2E,H). Colony formation assay confirmed that CC-223, NSC781406, and BGT226 inhibitors constrained the proliferation and clone formation of PANC-1 cells (Figures 3A,B). Reference: Front Pharmacol. 2020 Nov 11;11:580407. https://pubmed.ncbi.nlm.nih.gov/33343350/
In vivo activity:
Compound 7k (NSC781406) was identified as a highly potent dual inhibitor, which exhibited potent tumor growth inhibition in the hepatocellular carcinoma BEL-7404 xenograft model. Compound 7k may be a potential therapeutic drug candidate for HCC. Reference: Bioorg Med Chem. 2016 Mar 1;24(5):957-66. https://pubmed.ncbi.nlm.nih.gov/26819001/
Solvent mg/mL mM
Solubility
DMF 10.0 15.93
DMSO 85.0 135.42
DMSO:PBS (pH 7.2) (1:4) 0.2 0.32
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 627.68 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. Guo Y, Zhu H, Weng M, Zhang H, Wang C, Sun L. CC-223, NSC781406, and BGT226 Exerts a Cytotoxic Effect Against Pancreatic Cancer Cells via mTOR Signaling. Front Pharmacol. 2020 Nov 11;11:580407. doi: 10.3389/fphar.2020.580407. PMID: 33343350; PMCID: PMC7741184. 2. Chen Y, Zhang L, Yang C, Han J, Wang C, Zheng C, Zhou Y, Lv J, Song Y, Zhu J. Discovery of benzenesulfonamide derivatives as potent PI3K/mTOR dual inhibitors with in vivo efficacies against hepatocellular carcinoma. Bioorg Med Chem. 2016 Mar 1;24(5):957-66. doi: 10.1016/j.bmc.2016.01.008. Epub 2016 Jan 6. PMID: 26819001.
In vitro protocol:
1. Guo Y, Zhu H, Weng M, Zhang H, Wang C, Sun L. CC-223, NSC781406, and BGT226 Exerts a Cytotoxic Effect Against Pancreatic Cancer Cells via mTOR Signaling. Front Pharmacol. 2020 Nov 11;11:580407. doi: 10.3389/fphar.2020.580407. PMID: 33343350; PMCID: PMC7741184.
In vivo protocol:
1. Chen Y, Zhang L, Yang C, Han J, Wang C, Zheng C, Zhou Y, Lv J, Song Y, Zhu J. Discovery of benzenesulfonamide derivatives as potent PI3K/mTOR dual inhibitors with in vivo efficacies against hepatocellular carcinoma. Bioorg Med Chem. 2016 Mar 1;24(5):957-66. doi: 10.1016/j.bmc.2016.01.008. Epub 2016 Jan 6. PMID: 26819001.
1: Chen Y, Zhang L, Yang C, Han J, Wang C, Zheng C, Zhou Y, Lv J, Song Y, Zhu J. Discovery of benzenesulfonamide derivatives as potent PI3K/mTOR dual inhibitors with in vivo efficacies against hepatocellular carcinoma. Bioorg Med Chem. 2016 Mar 1;24(5):957-66. doi: 10.1016/j.bmc.2016.01.008. Epub 2016 Jan 6. PubMed PMID: 26819001.