Chemical Property of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
Chemical Property:
- Boiling Point:589.5±50.0 °C (760 mmHg)
- PSA：41.99000
- Density:1.273±0.06 g/cm3 (20 °C, 760 mmHg)
- LogP:5.28030
- Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
- Solubility.:≥38.1 mg/mL in DMSO; insoluble in H2O; ≥58.9 mg/mL in EtOH
- XLogP3:4.7
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:2
- Rotatable Bond Count:4
- Exact Mass:380.1655411
- Heavy Atom Count:27
- Complexity:551
- Purity/Quality:
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99%, *data from raw suppliers
ABC294640（Opaganib） >98% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl
- Recent ClinicalTrials:Addition of Opaganib to Androgen Antagonists in Patients With mCRPC
- Recent EU Clinical Trials:Opaganib, a Sphingosine Kinase-2 (SK2) Inhibitor in COVID-19 Pneumonia: a Randomized, Double-blind, Placebo-Controlled Phase 2/3 Study, in Adult Subjects Hospitalized with Severe SARS-CoV-2 Positive Pneumonia
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Description
ABC294640 is an inhibitor of sphingosine kinase 2 (SPHK2; Ki = 9.8 μM). It inhibits SPHK2 (IC50 = 60 μM) without affecting SPHK1 activity up to 100 μM but does reduce SPHK1 isoform a (SPHK1a) protein levels in androgen-independent LNCaP (LNCaP-AI) cells via an SPHK1-indirect, proteasomal-dependent mechanism when used at concentrations ranging from 5 to 25 μM. ABC294640 is inactive against a panel of 20 lipid-regulated kinases at 50 μM. It decreases sphingosine-1-phosphate (S1P) production in MDA-MB-231 cells in a concentration-dependent manner. ABC294640 inhibits proliferation of a variety of cancer cells, including HepG2 liver, A-498 kidney, PANC-1 pancreas, and HT-29 colon cells (IC50s = 6, 12.2, 32.8, and 48.1 μM, respectively). It reduces actin filament polymerization in, and cell migration of, A-498 cells in a scratch assay. Oral administration of ABC294640 (35 and 100 mg/kg every other day) reduces tumor growth in a mouse syngeneic model of mammary adenocarcinoma. It also reduces colonic inflammation in mouse and rat models of Crohn’s disease induced by trinitrobenzene sulfonic acid (TNBS).
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Uses
Opaganib is used in treating iatrogenic autoimmune colitis.
