OD36 HCl
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MedKoo CAT#: 565615

CAS#: OD36 HCl

Description: OD36 is a cell permeable, highly potent, selective, and ATP-competitive inhibitor of receptor-interacting protein 2 (RIPK2, IC₅₀ = 5.3 nM).

Chemical Structure

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OD36 HCl
CAS# OD36 HCl
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 565615
Name: OD36 HCl
CAS#: OD36 HCl
Chemical Formula: C16H16Cl2N4O2
Exact Mass: 366.07
Molecular Weight: 367.230
Elemental Analysis: C, 52.33; H, 4.39; Cl, 19.31; N, 15.26; O, 8.71

Price and Availability

Size Price Availability Quantity
10mg USD 450 2 Weeks
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Related CAS #: 1638644-62-8 (free base)   OD36 HCl    

Synonym: OD36 hydrochloride; OD36 HCl; OD-36; OD 36; RIPK2 inhibitor OD36;

IUPAC/Chemical Name: 6-Chloro-10,11,14,17-tetrahydro-13H-1,16-etheno-4,8-metheno-1H-pyrazolo[3,4-g][1,14,4,6]dioxadiazacyclohexadecine hydrochloride

InChi Key: VGOJZWODJXQKMN-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H15ClN4O2.ClH/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21;/h1,3,7-10H,2,4-6H2,(H,18,20);1H

SMILES Code: ClC1=CC(C2=C3N=C(NCCOCCO4)C=CN3N=C2)=CC4=C1.Cl

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:
Product Data
Instruction:
View handling instruction
Biological target: OD36 is a RIPK2 inhibitor with an IC50 of 5.3 nM.
In vitro activity: The most potent compound (OD36) and Gefitinib were profiled against 366 kinases, whereas OD38 was screened against 88 kinases. The kinase profiles, visualized as dendrograms, and the extent of inhibition are graphically represented in Fig. 3A. At 100 nm, both OD36 and OD38 show very good initial specificity, inhibiting few other kinases to the same extent as RIPK2 and showing very high potency with IC50 values in the lower nanomolar range (OD36 having an IC50 of 5.3 nm and OD38 having an IC50 of 14.1 nm, Fig. 3A). Reference: J Biol Chem. 2014 Oct 24;289(43):29651-64. https://pubmed.ncbi.nlm.nih.gov/25213858/
In vivo activity: As shown in Fig. 5A, both Gefitinib and OD36 inhibited the recruitment of inflammatory cells to the peritoneum, specifically that of neutrophils, and, to a lesser extent, lymphocytes. Statistical analysis of peritoneal lavage cell subsets shows a significant effect of both Gefitinib and OD36 in inhibiting MDP-induced peritonitis (Fig. 5B). Although there was quite some variability between animals, for a number of analytes tested, there was also an observable trend in decrease of secreted chemokines in either the Gefitinib or in the OD36-treated mice (supplemental Fig. S3). These very promising in vivo results for an early-stage RIPK2 inhibitor such as OD36, which also shows potent in vitro activity and good initial selectivity, encourages continued optimization of such RIPK2 inhibitors that will retain potency but in addition display enhanced specificity and an improved half-life in vivo. Reference: J Biol Chem. 2014 Oct 24;289(43):29651-64. https://pubmed.ncbi.nlm.nih.gov/25213858/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Ethanol 1.8 5.01

Preparing Stock Solutions

The following data is based on the product molecular weight 367.23 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: Tigno-Aranjuez JT, Benderitter P, Rombouts F, Deroose F, Bai X, Mattioli B, Cominelli F, Pizarro TT, Hoflack J, Abbott DW. In vivo inhibition of RIPK2 kinase alleviates inflammatory disease. J Biol Chem. 2014 Oct 24;289(43):29651-64. doi: 10.1074/jbc.M114.591388. Epub 2014 Sep 11. PMID: 25213858; PMCID: PMC4207980.
In vitro protocol: Tigno-Aranjuez JT, Benderitter P, Rombouts F, Deroose F, Bai X, Mattioli B, Cominelli F, Pizarro TT, Hoflack J, Abbott DW. In vivo inhibition of RIPK2 kinase alleviates inflammatory disease. J Biol Chem. 2014 Oct 24;289(43):29651-64. doi: 10.1074/jbc.M114.591388. Epub 2014 Sep 11. PMID: 25213858; PMCID: PMC4207980.
In vivo protocol: Tigno-Aranjuez JT, Benderitter P, Rombouts F, Deroose F, Bai X, Mattioli B, Cominelli F, Pizarro TT, Hoflack J, Abbott DW. In vivo inhibition of RIPK2 kinase alleviates inflammatory disease. J Biol Chem. 2014 Oct 24;289(43):29651-64. doi: 10.1074/jbc.M114.591388. Epub 2014 Sep 11. PMID: 25213858; PMCID: PMC4207980.

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1. Tigno-Aranjuez et al (2014) In vivo inhibition of RIPK2 kinase alleviates inflammatory disease. J.Biol.Chem. 289 29651 PMID: 25213858

2. Sánchez-Duffhues et al (2019) Development of macrocycle kinase inhibitors for ALK2 using Fibrodysplasia ossificans progressiva-derived endothelial cells. JBMRPlus 3 e10230 PMID: 31768489