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Opaganib

CAT: 0013-GTR19160803-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160803-04Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Opaganib (ABC-294640, ABC294640) is a selective, competitive and orally bioavailable sphingosine kinase-2 (SphK-2) inhibitor with IC50 of 60 uM, Ki of 9.8 uM; shows no activity against SphK-1 with IC50 of >100 uM; attenuates S1P formation in intact cells, suppresses the proliferation of a broad panel of tumor cell lines, and inhibits tumor cell migration concomitant with loss of microfilaments; demonstrates antitumor activity in adenocarcinoma xenograft models.Blood Cancer Phase 2 Clinical.
CAS Number
915385-81-8
Product Name Alternative
ABC294640 | ABC 294640 | ABC-294640
Purity
>98% (HPLC)
Solubility
DMSO: 71 mg/mL (186.4 mM) ; Ethanol: 27 mg/mL (70.9 mM) ; Water: <1 mg/mL (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C ([C@@]12C[C@]3 (C4=CC=C (Cl) C=C4) C[C@@] (C2) ([H]) C[C@] (C3) ([H]) C1) NCC5=CC=NC=C5
Molecular Formula
C23H25ClN2O
Molecular Weight
380.916
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3- (4-chlorophenyl) -adamantane-1-carboxylic acid (pyridin-4-ylmethyl) amide

Chemical Information

Opaganib

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)-1-adamantanecarboxamide is an organochlorine compound.

CAS Number915385-81-8
PubChem CID15604015
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
Molecular FormulaC23H25ClN2O
Molecular Weight380.9
XLogP4.7
Topological Polar Surface Area42
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity551
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl
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)
InChIKey
CAOTVXGYTWCKQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Opaganib
CAS: 915385-81-8
CID: 15604015
Formula: C23H25ClN2O
MW: 380.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.9
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass380.1655411
Monoisotopic Mass380.1655411
Topological Polar Surface Area42 Ų
Heavy Atom Count27
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-16015-01Opaganib
C12502-100mgOpaganib (ABC294640)
T71301-01Opaganib HCl
TRC-O123451-50MGOpaganib-d15
HY-16015AOpaganib (hydrochloride)
HY-16015R-01Opaganib (Standard)
A12614-10Opaganib (ABC294640) 10mg
A12614-2Opaganib (ABC294640) 2mg

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