Home Other Building Blocks ABC294640

ABC294640

CAS No.:
915385-81-8
Catalog Number:
AG00H0TB
Molecular Formula:
C23H25ClN2O
Molecular Weight:
380.9104
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$215
- +
10mg
≥98%
1 week
United States
$325
- +
25mg
≥98%
1 week
United States
$604
- +
Product Description
Catalog Number:
AG00H0TB
Chemical Name:
ABC294640
CAS Number:
915385-81-8
Molecular Formula:
C23H25ClN2O
Molecular Weight:
380.9104
MDL Number:
MFCD22666355
IUPAC Name:
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
InChI:
InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
InChI Key:
CAOTVXGYTWCKQE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)C(=O)NCc1ccncc1
UNII:
DRG21OQ517
Properties
Complexity:
551  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.166g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
380.916g/mol
Monoisotopic Mass:
380.166g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Elevated Nuclear and Cytoplasmic FTY720-Phosphate in Mouse Embryonic Fibroblasts Suggests the Potential for Multiple Mechanisms in FTY720-Induced Neural Tube Defects. Toxicological sciences : an official journal of the Society of Toxicology 20160301
Effect of alkyl chain length on sphingosine kinase 2 selectivity. Bioorganic & medicinal chemistry letters 20121115
Sphingosine kinase isoforms as a therapeutic target in endocrine therapy resistant luminal and basal-A breast cancer. Experimental biology and medicine (Maywood, N.J.) 20120701
Sphingosine kinase inhibition exerts both pro- and anti-atherogenic effects in low-density lipoprotein receptor-deficient (LDL-R(-/-)) mice. Thrombosis and haemostasis 20120301
Sphingosine kinase-2 inhibition improves mitochondrial function and survival after hepatic ischemia-reperfusion. Journal of hepatology 20120101
Inhibition of sphingosine kinase-2 suppresses inflammation and attenuates graft injury after liver transplantation in rats. PloS one 20120101
Combined anticancer effects of sphingosine kinase inhibitors and sorafenib. Investigational new drugs 20111201
Attenuation of arthritis in rodents by a novel orally-available inhibitor of sphingosine kinase. Inflammopharmacology 20110401
Targeting NFĸB mediated breast cancer chemoresistance through selective inhibition of sphingosine kinase-2. Cancer biology & therapy 20110401
Antitumor activity of sphingosine kinase 2 inhibitor ABC294640 and sorafenib in hepatocellular carcinoma xenografts. Cancer biology & therapy 20110301
Experimental osteoarthritis in rats is attenuated by ABC294640, a selective inhibitor of sphingosine kinase-2. Pharmacology 20110101
Antiestrogenic effects of the novel sphingosine kinase-2 inhibitor ABC294640. Endocrinology 20101101
Suppression of colitis-driven colon cancer in mice by a novel small molecule inhibitor of sphingosine kinase. Carcinogenesis 20101001
A novel sphingosine kinase inhibitor induces autophagy in tumor cells. The Journal of pharmacology and experimental therapeutics 20100501
Efficacy of a novel sphingosine kinase inhibitor in experimental Crohn's disease. Inflammopharmacology 20100401
Pharmacologic manipulation of sphingosine kinase in retinal endothelial cells: implications for angiogenic ocular diseases. Investigative ophthalmology & visual science 20061101
Properties