WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H564415
CAS#: 1676893-24-5
Description: NSC781406 is a highly potent PI3K/mTOR dual inhibitor, exhibiting potent tumor growth inhibition in the hepatocellular carcinoma BEL-7404 xenograft model.
Hodoodo Cat#: H564415
Name: NSC781406
CAS#: 1676893-24-5
Chemical Formula: C29H27F2N5O5S2
Exact Mass: 627.14
Molecular Weight: 627.682
Elemental Analysis: C, 55.49; H, 4.34; F, 6.05; N, 11.16; O, 12.74; S, 10.22
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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.
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: | |
In vitro protocol: | |
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. PubMed PMID: 26819001.