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ABC294735

CAT: 0013-GTR19212279-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212279-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ABC294735 is a small molecule dual inhibitor of sphingosine kinase isoforms SK1 and SK2. It has demonstrated potential anticancer activity in research settings, showing efficacy in both in vitro cell culture models and in vivo xenograft studies for various cancers.
CAS Number
917236-13-6
Smiles
C (NCCC1=CC (O) =C (O) C=C1) (=O) C23CC4 (CC (C2) CC (C4) C3) C5=CC=C (Cl) C=C5
Molecular Formula
C25H28ClNO3
Molecular Weight
425.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(4-Chloro-phenyl)-adamantane-1-carboxylic acid 3,4-dihydroxy-benzylamide
CAS Number917236-13-6
PubChem CID15983462
IUPAC Name3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide
Molecular FormulaC24H26ClNO3
Molecular Weight411.9
XLogP5
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity618
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC(=C(C=C4)O)O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H26ClNO3/c25-19-4-2-18(3-5-19)23-9-16-7-17(10-23)12-24(11-16,14-23)22(29)26-13-15-1-6-20(27)21(28)8-15/h1-6,8,16-17,27-28H,7,9-14H2,(H,26,29)
InChIKey
KNZHUAFGWMRPPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chloro-phenyl)-adamantane-1-carboxylic acid 3,4-dihydroxy-benzylamide
CAS: 917236-13-6
CID: 15983462
Formula: C24H26ClNO3
MW: 411.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight411.9
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass411.1601214
Monoisotopic Mass411.1601214
Topological Polar Surface Area69.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity618
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

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CatalogName
T68352-01ABC294735

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