Jhu-75528c-11

CAT: 0931-T32289Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T32289Size:5 mg

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CAS Number

942063-86-7

Target

Others

Related Pathways

Others

Bioactivity

JHU-75528 C-11 can be used as a Radiotracer for PET Imaging of CB1 Cannabinoid Receptors.

Smiles

C(#N)C1=C(N(N=C1C(NN2CCCCC2)=O)C3=C(Cl)C=C(Cl)C=C3)C4=CC=C(O[11CH3])C=C4

Molecular Formula

C23H21Cl2N5O2

Molecular Weight

469.35

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Jhu-75528 c-11

JHU-75528 C-11 is under investigation in clinical trial NCT03204305 (Brain Imaging of Cannabinoid Receptors).

CAS Number	942063-86-7
PubChem CID	11963742
IUPAC Name	4-cyano-1-(2,4-dichlorophenyl)-5-(4-(111C)methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular Formula	C23H21Cl2N5O2
Molecular Weight	469.3
XLogP	5.2
Topological Polar Surface Area	83.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	689

SMILES

[11CH3]OC1=CC=C(C=C1)C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)NN4CCCCC4)C#N

InChI

InChI=1S/C23H21Cl2N5O2/c1-32-17-8-5-15(6-9-17)22-18(14-26)21(23(31)28-29-11-3-2-4-12-29)27-30(22)20-10-7-16(24)13-19(20)25/h5-10,13H,2-4,11-12H2,1H3,(H,28,31)/i1-1

InChIKey

MCNQUWLLXZZZAC-BJUDXGSMSA-N

Chemical Structure

2D Structure

CAS: 942063-86-7

CID: 11963742

Formula: C23H21Cl2N5O2

MW: 469.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	469.3
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	468.1186629
Monoisotopic Mass	468.1186629
Topological Polar Surface Area	83.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	689
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Jhu-75528c-11

Chemical Information

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