Purmorphamine

Purmorphamine
Identifiers
	IUPAC name 9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-amine;
CAS Number	483367-10-8 ;
PubChem CID	5284329;
ChemSpider	4447411;
UNII	PB12M2F8KY;
CompTox Dashboard (EPA)	DTXSID20415293 ;
Chemical and physical data
Formula	C31H32N6O2
Molar mass	520.637 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES C1(N(C2CCCCC2)C=N3)=C3C(NC4=CC=C(N5CCOCC5)C=C4)=NC(OC6=CC=CC7=C6C=CC=C7)=N1;
	InChI InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35); Key:FYBHCRQFSFYWPY-UHFFFAOYSA-N;

Purmorphamine was the first small-molecule agonist developed for the protein Smoothened, a key part of the hedgehog signaling pathway, which is involved in bone growth, cardiovascular regeneration and brain development as well as having a number of other functions in the body. Purmorphamine has been shown to induce osteogenesis in bone tissue as well as influencing growth and differentiation of neurons in the brain.^[1]^[2]^[3]^[4]^[5]^[6] ^[7]

CAS Number

483367-10-8^N

PubChem CID

5284329

ChemSpider

4447411

UNII

PB12M2F8KY

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Purmorphamine

References

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Identifiers

IUPAC name 9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-amine
CAS Number	483367-10-8^N
PubChem CID	5284329
ChemSpider	4447411
UNII	PB12M2F8KY
CompTox Dashboard (EPA)	DTXSID20415293
Chemical and physical data
Formula	C₃₁H₃₂N₆O₂
Molar mass	520.637 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES C1(N(C2CCCCC2)C=N3)=C3C(NC4=CC=C(N5CCOCC5)C=C4)=NC(OC6=CC=CC7=C6C=CC=C7)=N1
InChI InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35) Key:FYBHCRQFSFYWPY-UHFFFAOYSA-N