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CRANAD-2

CAT: 0804-HY-103242-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103242-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CRANAD-2 is a near-infrared (NIR) Aβ plaque-specific fluorescent probe. CRANAD 2 penetrates the blood brain barrier and has a high affinity for Aβ aggregates with a Kd of 38 nM[1][2].
CAS Number
1193447-34-5
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Amyloid-β
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cranad-2.html
Purity
98.0
Solubility
DMF : 2 mg/mL (ultrasonic; warming; heat to 60°C) |DMSO : 2.08 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CN(C)C(C=C1)=CC=C1/C=C/C2=O[B+3]([F-])([F-])O=C(/C=C/C3=CC=C(N(C)C)C=C3)[CH-]2
Molecular Formula
C23H25BF2N2O2
Molecular Weight
410.26
Precautions
H315, H319
References & Citations
[1]Ran C, et al. Design, synthesis, and testing of difluoroboron-derivatized curcumins as near-infrared probes for in vivo detection of amyloid-beta deposits. J Am Chem Soc. 2009 Oct 28;131 (42) :15257-61. |[2]Ran C, et al. Non-conjugated small molecule FRET for differentiating monomers from higher molecular weight amyloid beta species. PLoS One. 2011 Apr 29;6 (4) :e19362.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cranad-2
CAS Number1193447-34-5
PubChem CID90488972
IUPAC Name[4-[(2Z)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Molecular FormulaC23H25BF2N2O2
Molecular Weight410.3
Topological Polar Surface Area24.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity777
SMILES
[B-]1(OC(=C/C(=C/C=C2C=CC(=[N+](C)C)C=C2)/O1)/C=C/C3=CC=C(C=C3)N(C)C)(F)F
InChI
InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3
InChIKey
PVXQJYXODFZTBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cranad-2
CAS: 1193447-34-5
CID: 90488972
Formula: C23H25BF2N2O2
MW: 410.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass410.1977145
Monoisotopic Mass410.1977145
Topological Polar Surface Area24.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TXB44734-01CRANAD 2
C09369CRANAD-2
A22076-25CRANAD-2 25mg
A22076-10CRANAD-2 10mg
A22076-200CRANAD-2 200mg
A22076-2CRANAD-2 2mg
A22076-100CRANAD-2 100mg
A22076-50CRANAD-2 50mg
A22076-5CRANAD-2 5mg

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