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2-PCCA

CAT: 0013-GTR19208331-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208331-01Size:25 mg
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Description
2-PCCA is a potent and selective small molecule agonist of the GPR88 receptor. This compound is a valuable research tool for investigating GPR88 function in neuropsychiatric disorders and striatal signaling pathways, with utility in both in vitro and in vivo experimental models.
CAS Number
1287205-42-8
Field of Research
Metabolism Research
Smiles
C (N (C[C@H] ([C@H] (CC) C) N) C1=CC=C (C=C1) C2=CC=C (CCC) C=C2) (=O) [C@H]3[C@@H] (C3) C4=CC=CC=N4
Molecular Formula
C30H37N3O
Molecular Weight
455.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,2R)-2-Pcca
CAS Number1287205-42-8
PubChem CID58466521
IUPAC Nametrans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
Molecular FormulaC30H37N3O
Molecular Weight455.6
XLogP5.9
Topological Polar Surface Area59.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity623
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)N(C[C@H]([C@@H](C)CC)N)C(=O)[C@@H]3C[C@H]3C4=CC=CC=N4
InChI
InChI=1S/C30H37N3O/c1-4-8-22-10-12-23(13-11-22)24-14-16-25(17-15-24)33(20-28(31)21(3)5-2)30(34)27-19-26(27)29-9-6-7-18-32-29/h6-7,9-18,21,26-28H,4-5,8,19-20,31H2,1-3H3/t21-,26+,27+,28+/m0/s1
InChIKey
OBGKRTYDTRUMGO-RFNYNIMXSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-2-Pcca
CAS: 1287205-42-8
CID: 58466521
Formula: C30H37N3O
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass455.293662812
Monoisotopic Mass455.293662812
Topological Polar Surface Area59.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes