MedKoo Cat#: 555565 | Name: PUN30119
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Description:

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

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

PUN30119
PUN30119
CAS#1801530-11-9

Theoretical Analysis

MedKoo Cat#: 555565

Name: PUN30119

CAS#: 1801530-11-9

Chemical Formula: C35H35ClN6O5

Exact Mass: 654.2357

Molecular Weight: 655.15

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 450.00 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

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
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.