PKI-179
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MedKoo CAT#: 205989

CAS#: 1197160-28-3

Description: PKI-179 is a second generation, small-molecule mimetic of ATP that targets the mammalian target of rapamycin (mTOR) with potential antineoplastic activity. PKI-179 selectively inhibits mTOR and phosphoinositide-3-kinase (PI3K) alpha. By inhibiting the PI3K/mTOR signaling pathway, this agent may inhibit tumor cell proliferation and survival.

Chemical Structure

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PKI-179
CAS# 1197160-28-3
Instruction

Theoretical Analysis

MedKoo Cat#: 205989
Name: PKI-179
CAS#: 1197160-28-3
Chemical Formula: C25H28N8O3
Exact Mass: 488.23
Molecular Weight: 488.542
Elemental Analysis: C, 61.46; H, 5.78; N, 22.94; O, 9.82

Price and Availability

Size Price Availability Quantity
5mg USD 450 2 Weeks
10mg USD 800 2 Weeks
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Related CAS #: 1463510-35-1 (HCl); 1197160-28-3  

Synonym: PKI179; PKI-179; PK I179.

IUPAC/Chemical Name: 1-(4-(4-((1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-6-morpholino-1,3,5-triazin-2-yl)phenyl)-3-(pyridin-4-yl)urea

InChi Key: WXUUCRLKXQMWRY-NHCUHLMSSA-N

InChi Code: InChI=1S/C25H28N8O3/c34-25(28-19-7-9-26-10-8-19)27-18-3-1-17(2-4-18)22-29-23(32-11-13-35-14-12-32)31-24(30-22)33-20-5-6-21(33)16-36-15-20/h1-4,7-10,20-21H,5-6,11-16H2,(H2,26,27,28,34)/t20-,21-/m1/s1

SMILES Code: O=C(NC1=CC=NC=C1)NC2=CC=C(C3=NC(N4[C@@]5([H])COC[C@@]4([H])CC5)=NC(N6CCOCC6)=N3)C=C2

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, not soluble in water.

Shelf Life: >5 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:         

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 488.54 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:
In vitro protocol:
In vivo protocol:

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 1: Venkatesan AM, Chen Z, dos Santos O, Dehnhardt C, Santos ED, Ayral-Kaloustian S, Mallon R, Hollander I, Feldberg L, Lucas J, Yu K, Chaudhary I, Mansour TS. PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5869-73. doi: 10.1016/j.bmcl.2010.07.104. Epub 2010 Jul 30. PubMed PMID: 20797855.

2: Chen Z, Venkatesan AM, Dos Santos O, Delos Santos E, Dehnhardt CM, Ayral-Kaloustian S, Ashcroft J, McDonald LA, Mansour TS. Stereoselective synthesis of an active metabolite of the potent PI3 kinase inhibitor PKI-179. J Org Chem. 2010 Mar 5;75(5):1643-51. doi: 10.1021/jo9026269. PubMed PMID: 20112997.