NQDI-1
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MedKoo CAT#: 522544

CAS#: 175026-96-7

Description: NQDI-1 is an inhibitor of ASK1, which attenuates acute ischemic renal injury by modulating oxidative stress and cell death. NQDI-1 was used to study LPS-induced activation and role of ASK1 and p38 in anti-inflammatory cytokine production by macrophages Apoptosis signal-regulating kinase 1 (ASK1) is among the signaling events that lead to postischemic cell death. Inhibition of ASK1 pathway protected hearts from ischemic damage.


Chemical Structure

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NQDI-1
CAS# 175026-96-7

Theoretical Analysis

MedKoo Cat#: 522544
Name: NQDI-1
CAS#: 175026-96-7
Chemical Formula: C19H13NO4
Exact Mass: 319.08
Molecular Weight: 319.316
Elemental Analysis: C, 71.47; H, 4.10; N, 4.39; O, 20.04

Price and Availability

Size Price Availability Quantity
100mg USD 450
200mg USD 750
500mg USD 1650
1g USD 2850
2g USD 3950
5g USD 5650
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Synonym: NQDI1; NQDI-1; NQDI 1. CAS#175026-96-7

IUPAC/Chemical Name: ethyl 2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate

InChi Key: UFJGFNHRMPMALC-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H13NO4/c1-2-24-19(23)16-15-10-6-3-4-7-11(10)17(21)12-8-5-9-13(14(12)15)20-18(16)22/h3-9H,2H2,1H3,(H,20,22)

SMILES Code: O=C(C1=C2C3=C(NC1=O)C=CC=C3C(C4=C2C=CC=C4)=O)OCC

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 in water

Shelf Life: >2 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: NQDI-1 inhibits apoptosis signal-regulating kinase 1 (ASK1) with a Ki of 500 nM and an IC50 of 3 μM.
In vitro activity: In vitro kinase assay revealed that ethyl 2,7-dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carboxylate (NQDI-1) inhibited ASK1 with a K(i) of 500 nM. Reference: J Med Chem. 2011 Apr 28;54(8):2680-6. https://pubmed.ncbi.nlm.nih.gov/21449566/
In vivo activity: NQDI‑1, a specific inhibitor of ASK1 was intracerebroventricularly injected following neonatal rats brain insult for neuroprotection. Notably, NQDI‑1 significantly inhibited the in vivo expression levels of ASK1, phosphorylated (p‑)JNK, p‑c‑Jun, p53 and caspase 3. Reduced acute hypoxic‑ischemic cerebral injury and cell apoptosis was observed following the injection of NQDI‑1. Collectively, NQDI-1 attenuated acute perinatal hypoxic‑ischemic cerebral injury by inhibiting the expression of ASK1 and cell apoptosis. Reference: Mol Med Rep. 2016 Jun;13(6):4585-92. https://pubmed.ncbi.nlm.nih.gov/27081917/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 1.0 3.13
DMF:PBS (pH 7.2) (1:2) 0.3 0.94
DMSO 10.7 33.40

Preparing Stock Solutions

The following data is based on the product molecular weight 319.32 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. Feng H, Li Z, Du J, Sun J, Feng W, Li D, Liu S, Wang W, Liu H, Amizuka N, Li M. Dual function of peroxiredoxin I in lipopolysaccharide-induced osteoblast apoptosis via reactive oxygen species and the apoptosis signal-regulating kinase 1 signaling pathway. Cell Death Discov. 2018 Apr 27;4:47. doi: 10.1038/s41420-018-0050-9. PMID: 29707240; PMCID: PMC5919897. 2. Volynets GP, Chekanov MO, Synyugin AR, Golub AG, Kukharenko OP, Bdzhola VG, Yarmoluk SM. Identification of 3H-naphtho[1,2,3-de]quinoline-2,7-diones as inhibitors of apoptosis signal-regulating kinase 1 (ASK1). J Med Chem. 2011 Apr 28;54(8):2680-6. doi: 10.1021/jm200117h. Epub 2011 Mar 30. PMID: 21449566. 3. Xie X, Yuan C, Yin L, Zhu Q, Ma N, Chen W, Ding Y, Xiao W, Gong W, Lu G, Xu Z, Li W. NQDI-1 protects against acinar cell necrosis in three experimental mouse models of acute pancreatitis. Biochem Biophys Res Commun. 2019 Nov 26;520(1):211-217. doi: 10.1016/j.bbrc.2019.09.125. Epub 2019 Oct 3. PMID: 31587872. 4. Hao H, Li S, Tang H, Liu B, Cai Y, Shi C, Xiao X. NQDI-1, an inhibitor of ASK1 attenuates acute perinatal hypoxic-ischemic cerebral injury by modulating cell death. Mol Med Rep. 2016 Jun;13(6):4585-92. doi: 10.3892/mmr.2016.5123. Epub 2016 Apr 13. PMID: 27081917; PMCID: PMC4878550.
In vitro protocol: 1. Feng H, Li Z, Du J, Sun J, Feng W, Li D, Liu S, Wang W, Liu H, Amizuka N, Li M. Dual function of peroxiredoxin I in lipopolysaccharide-induced osteoblast apoptosis via reactive oxygen species and the apoptosis signal-regulating kinase 1 signaling pathway. Cell Death Discov. 2018 Apr 27;4:47. doi: 10.1038/s41420-018-0050-9. PMID: 29707240; PMCID: PMC5919897. 2. Volynets GP, Chekanov MO, Synyugin AR, Golub AG, Kukharenko OP, Bdzhola VG, Yarmoluk SM. Identification of 3H-naphtho[1,2,3-de]quinoline-2,7-diones as inhibitors of apoptosis signal-regulating kinase 1 (ASK1). J Med Chem. 2011 Apr 28;54(8):2680-6. doi: 10.1021/jm200117h. Epub 2011 Mar 30. PMID: 21449566.
In vivo protocol: 1. Xie X, Yuan C, Yin L, Zhu Q, Ma N, Chen W, Ding Y, Xiao W, Gong W, Lu G, Xu Z, Li W. NQDI-1 protects against acinar cell necrosis in three experimental mouse models of acute pancreatitis. Biochem Biophys Res Commun. 2019 Nov 26;520(1):211-217. doi: 10.1016/j.bbrc.2019.09.125. Epub 2019 Oct 3. PMID: 31587872. 2. Hao H, Li S, Tang H, Liu B, Cai Y, Shi C, Xiao X. NQDI-1, an inhibitor of ASK1 attenuates acute perinatal hypoxic-ischemic cerebral injury by modulating cell death. Mol Med Rep. 2016 Jun;13(6):4585-92. doi: 10.3892/mmr.2016.5123. Epub 2016 Apr 13. PMID: 27081917; PMCID: PMC4878550.

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1: Eaton GJ, Zhang QS, Diallo C, Matsuzawa A, Ichijo H, Steinbeck MJ, Freeman TA.
Inhibition of apoptosis signal-regulating kinase 1 enhances endochondral bone
formation by increasing chondrocyte survival. Cell Death Dis. 2014 Nov
13;5:e1522. doi: 10.1038/cddis.2014.480. PubMed PMID: 25393478; PubMed Central
PMCID: PMC4260738.


2: Yoshida T, Ozawa Y, Suzuki K, Yuki K, Ohyama M, Akamatsu W, Matsuzaki Y,
Shimmura S, Mitani K, Tsubota K, Okano H. The use of induced pluripotent stem
cells to reveal pathogenic gene mutations and explore treatments for retinitis
pigmentosa. Mol Brain. 2014 Jun 16;7:45. doi: 10.1186/1756-6606-7-45. PubMed
PMID: 24935155; PubMed Central PMCID: PMC4058693.


3: El Eter E. NQDI 1, an inhibitor of ASK1 attenuates acute ischemic renal injury
by modulating oxidative stress and cell death. Cardiovasc Hematol Agents Med
Chem. 2013 Sep;11(3):179-86. PubMed PMID: 23952292.


4: Nomura K, Lee M, Banks C, Lee G, Morris BJ. An ASK1-p38 signalling pathway
mediates hydrogen peroxide-induced toxicity in NG108-15 neuronal cells. Neurosci
Lett. 2013 Aug 9;549:163-7. doi: 10.1016/j.neulet.2013.05.045. Epub 2013 Jun 4.
PubMed PMID: 23742763.


5: Volynets GP, Chekanov MO, Synyugin AR, Golub AG, Kukharenko OP, Bdzhola VG,
Yarmoluk SM. Identification of 3H-naphtho[1,2,3-de]quinoline-2,7-diones as
inhibitors of apoptosis signal-regulating kinase 1 (ASK1). J Med Chem. 2011 Apr
28;54(8):2680-6. doi: 10.1021/jm200117h. Epub 2011 Mar 30. PubMed PMID: 21449566.