PUN30119
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MedKoo CAT#: 555565

CAS#: 1801530-11-9

Description: PUN30119, also known as Imidazole Ketone Erastin, is an inducer of ferroptosis.1 It inhibits glutamate release in human CCF-STTG1 astrocytoma cells (IC50 = 30 nM), indicating inhibition of the system xc- cystine/glutamate transporter. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).

Chemical Structure

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PUN30119
CAS# 1801530-11-9
Instruction

Theoretical Analysis

MedKoo Cat#: 555565
Name: PUN30119
CAS#: 1801530-11-9
Chemical Formula: C35H35ClN6O5
Exact Mass: 654.24
Molecular Weight: 655.152
Elemental Analysis: C, 64.17; H, 5.39; Cl, 5.41; N, 12.83; O, 12.21

Price and Availability

Size Price Availability Quantity
5mg USD 450 2 Weeks
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Synonym: PUN30119; PUN-30119; PUN 30119; Imidazole Ketone Erastin;

IUPAC/Chemical Name: 3-(5-(2-(1H-imidazol-1-yl)acetyl)-2-isopropoxyphenyl)-2-((4-(2-(4-chlorophenoxy)acetyl)piperazin-1-yl)methyl)quinazolin-4(3H)-one

InChi Key: PSPXJPWGVFNGQI-UHFFFAOYSA-N

InChi Code: InChI=1S/C35H35ClN6O5/c1-24(2)47-32-12-7-25(31(43)20-40-14-13-37-23-40)19-30(32)42-33(38-29-6-4-3-5-28(29)35(42)45)21-39-15-17-41(18-16-39)34(44)22-46-27-10-8-26(36)9-11-27/h3-14,19,23-24H,15-18,20-22H2,1-2H3

SMILES Code: O=C1N(C2=CC(C(CN3C=NC=C3)=O)=CC=C2OC(C)C)C(CN4CCN(C(COC5=CC=C(Cl)C=C5)=O)CC4)=NC6=C1C=CC=C6

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 655.15 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. Zhang Y, et al. Cell Chem Biol. 2019 Jan 31. pii: S2451-9456(19)30030-3.

2. Larraufie MH, et al. Bioorg Med Chem Lett. 2015 Nov 1;25(21):4787-4792.