PD-147693

CAT: 0931-T204694-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T204694-02Size:50 mg

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CAS Number

163239-24-5

Target

Dopamine Receptor, Endogenous Metabolite

Related Pathways

GPCR/G Protein, Neuroscience, Metabolism

Bioactivity

PD-147693 (compound II) is an active metabolite of the presynaptic dopamine autoreceptor agonist CI-1007, and it exhibits antipsychotic activity similar to CI-1007.

Smiles

C([C@H]1CC(C2=CC=C(O)C=C2)=CCC1)N3CCC(=CC3)C4=CC=CC=C4

Molecular Formula

C24H27NO

Molecular Weight

345.477

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

PD-147693

a monohydroxy derivative of CI-1007; structure given in first source

CAS Number	163239-24-5
PubChem CID	178078
IUPAC Name	4-[(5R)-5-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexen-1-yl]phenol
Molecular Formula	C24H27NO
Molecular Weight	345.5
XLogP	4.7
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	508

SMILES

C1C[C@H](CC(=C1)C2=CC=C(C=C2)O)CN3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1

InChIKey

GHLIXCKZQCRDAX-LJQANCHMSA-N

Chemical Structure

2D Structure

CAS: 163239-24-5

CID: 178078

Formula: C24H27NO

MW: 345.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	345.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	345.209264485
Monoisotopic Mass	345.209264485
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Alternative Products

Catalog	Name
GTR19249967-01	PD-147693
HY-144649	PD-1/PD-L1-IN-24
HY-132202-01	PD-1/PD-L1-IN-10
HY-144442	PD-1/PD-L1-IN-15
HY-129172A	PD-1/PD-L1-IN 5
HY-145770	PD-1/PD-L1-IN-19
HY-179180	PD-1/PD-L1-IN-59
HY-175702	PD-1/PD-L1-IN-57
HY-144447	PD-1/PD-L1-IN-17
HY-169190	PD-1/PD-L1-IN-53

PD-147693

Chemical Information

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