GNE-477
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MedKoo CAT#: 471024

CAS#: 1032754-81-6

Description: GNE-477 is a dual inhibitor of PI3K (IC50 = 4 nM for PI3Kα) and mTOR (apparent Ki = 21 nM).


Chemical Structure

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GNE-477
CAS# 1032754-81-6

Theoretical Analysis

MedKoo Cat#: 471024
Name: GNE-477
CAS#: 1032754-81-6
Chemical Formula: C21H28N8O3S2
Exact Mass: 504.17
Molecular Weight: 504.628
Elemental Analysis: C, 49.98; H, 5.59; N, 22.21; O, 9.51; S, 12.71

Price and Availability

Size Price Availability Quantity
5mg USD 360 2 Weeks
10mg USD 650 2 Weeks
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Synonym: GNE-477, GNE477, GNE 477

IUPAC/Chemical Name: 5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine

InChi Key: AKKCGLXULFRAET-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24)

SMILES Code: NC1=NC=C(C2=NC(N3CCOCC3)=C4C(C(C)=C(CN5CCN(S(=O)(C)=O)CC5)S4)=N2)C=N1

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: 2934.99.9001

More Info:

Product Data:
Biological target: GNE-477 is a potent and efficacious dual PI3K (IC50=4 nM)/mTOR(Ki=21 nM) inhibitor.
In vitro activity: GNE-477 exerted an obvious inhibitory effect on U87 and U251 cells, and the effect on the viability of the two cell lines was dose-dependent (Figures 1B,C). Reference: Front Pharmacol. 2021 Jul 26;12:659511. https://pubmed.ncbi.nlm.nih.gov/34381355/
In vivo activity: Tumor growth curve results, Figure 4A, demonstrated that intraperitoneal (i.p.) injection of GNE-477, at 10 or 50 mg/kg (daily, for 3 weeks), potently inhibited RCC1 xenograft tumor growth in nude mice. Reference: Aging (Albany NY). 2020 May 18;12(10):9489-9499. https://pubmed.ncbi.nlm.nih.gov/32421688/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 20.8 41.29

Preparing Stock Solutions

The following data is based on the product molecular weight 504.63 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. Wang Y, Shen H, Sun Q, Zhao L, Liu H, Ye L, Xu Y, Cai J, Li Y, Gao L, Tan Y, Liu B, Chen Q. The New PI3K/mTOR Inhibitor GNE-477 Inhibits the Malignant Behavior of Human Glioblastoma Cells. Front Pharmacol. 2021 Jul 26;12:659511. doi: 10.3389/fphar.2021.659511. PMID: 34381355; PMCID: PMC8350478. 2. Ye X, Ruan JW, Huang H, Huang WP, Zhang Y, Zhang F. PI3K-Akt-mTOR inhibition by GNE-477 inhibits renal cell carcinoma cell growth in vitro and in vivo. Aging (Albany NY). 2020 May 18;12(10):9489-9499. doi: 10.18632/aging.103221. Epub 2020 May 18. PMID: 32421688; PMCID: PMC7288912.
In vitro protocol: 1. Wang Y, Shen H, Sun Q, Zhao L, Liu H, Ye L, Xu Y, Cai J, Li Y, Gao L, Tan Y, Liu B, Chen Q. The New PI3K/mTOR Inhibitor GNE-477 Inhibits the Malignant Behavior of Human Glioblastoma Cells. Front Pharmacol. 2021 Jul 26;12:659511. doi: 10.3389/fphar.2021.659511. PMID: 34381355; PMCID: PMC8350478. 2. Ye X, Ruan JW, Huang H, Huang WP, Zhang Y, Zhang F. PI3K-Akt-mTOR inhibition by GNE-477 inhibits renal cell carcinoma cell growth in vitro and in vivo. Aging (Albany NY). 2020 May 18;12(10):9489-9499. doi: 10.18632/aging.103221. Epub 2020 May 18. PMID: 32421688; PMCID: PMC7288912.
In vivo protocol: 1. Wang Y, Shen H, Sun Q, Zhao L, Liu H, Ye L, Xu Y, Cai J, Li Y, Gao L, Tan Y, Liu B, Chen Q. The New PI3K/mTOR Inhibitor GNE-477 Inhibits the Malignant Behavior of Human Glioblastoma Cells. Front Pharmacol. 2021 Jul 26;12:659511. doi: 10.3389/fphar.2021.659511. PMID: 34381355; PMCID: PMC8350478. 2. Ye X, Ruan JW, Huang H, Huang WP, Zhang Y, Zhang F. PI3K-Akt-mTOR inhibition by GNE-477 inhibits renal cell carcinoma cell growth in vitro and in vivo. Aging (Albany NY). 2020 May 18;12(10):9489-9499. doi: 10.18632/aging.103221. Epub 2020 May 18. PMID: 32421688; PMCID: PMC7288912.

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1. Heffron, T.P., Berry, M., Castanedo, G., et al. Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor Bioorg. Med. Chem. Lett. 20(8), 2408-2411 (2010).
2. Wang Y, Shen H, Sun Q, Zhao L, Liu H, Ye L, Xu Y, Cai J, Li Y, Gao L, Tan Y, Liu B, Chen Q. The New PI3K/mTOR Inhibitor GNE-477 Inhibits the Malignant Behavior of Human Glioblastoma Cells. Front Pharmacol. 2021 Jul 26;12:659511. doi: 10.3389/fphar.2021.659511. PMID: 34381355; PMCID: PMC8350478.
3. Ye X, Ruan JW, Huang H, Huang WP, Zhang Y, Zhang F. PI3K-Akt-mTOR inhibition by GNE-477 inhibits renal cell carcinoma cell growth in vitro and in vivo. Aging (Albany NY). 2020 May 18;12(10):9489-9499. doi: 10.18632/aging.103221. Epub 2020 May 18. PMID: 32421688; PMCID: PMC7288912.