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Adaphostin

CAT: 1410-M27602-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Adaphostin is a p210Bcr/Abl tyrosine kinase inhibitor with IC50 of 14 μM.
CAS Number
241127-58-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
393.483
Molecular Formula
C24H27NO4
Notes
Research use only, not for human use.
Receptor
Cyclophilin J

Chemical Information

Adaphostin

a bcr/abl kinase inhibitor; structure in first source

CAS Number241127-58-2
PubChem CID387042
IUPAC Name1-adamantyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate
Molecular FormulaC24H27NO4
Molecular Weight393.5
XLogP5.2
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity558
SMILES
C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O
InChI
InChI=1S/C24H27NO4/c26-21-5-6-22(27)19(10-21)14-25-20-3-1-18(2-4-20)23(28)29-24-11-15-7-16(12-24)9-17(8-15)13-24/h1-6,10,15-17,25-27H,7-9,11-14H2
InChIKey
YJZSUCFGHXQWDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adaphostin
CAS: 241127-58-2
CID: 387042
Formula: C24H27NO4
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass393.19400834
Monoisotopic Mass393.19400834
Topological Polar Surface Area78.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-103275-01Adaphostin
HY-103275R-01Adaphostin (Standard)

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