Purmorphamine

CAT: 0804-HY-15108-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-15108-05Size:50 mg

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Description

Purmorphamine is a smoothened/Smo receptor agonist with an EC50 of 1 μM.

CAS Number

483367-10-8

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Autophagy; Organoid; Smo

Type

Reference compound

Related Pathways

Autophagy; Stem Cell/Wnt

Applications

Cancer-Kinase/protease

Field of Research

Neurological Disease; Cancer

Assay Protocol

https://www.medchemexpress.com/Purmorphamine.html

Purity

99.9

Solubility

DMSO : 33.33 mg/mL (ultrasonic)

Smiles

N1(C2=CC=C(NC3=NC(OC4=CC=CC5=C4C=CC=C5)=NC6=C3N=CN6C7CCCCC7)C=C2)CCOCC1

Molecular Formula

C31H32N6O2

Molecular Weight

520.62

Precautions

H302, H315, H319, H335

References & Citations

[1]Beloti MM, et al. Purmorphamine enhances osteogenic activity of human osteoblasts derived from bone marrow mesenchymal cells. Cell Biol Int. 2005 Jul;29 (7) :537-41.. . . .|[2]Gu D, et al. A role for transcription factor STAT3 signaling in oncogene smoothened-driven carcinogenesis. J Biol Chem. 2012 Nov 2;287 (45) :38356-66.|[3]Beloti MM, et al. Purmorphamine enhances osteogenic activity of human osteoblasts derived from bone marrow mesenchymal cells. Cell Biol Int. 2005 Jul;29 (7) :537-41.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Citation 01

Chemical Information

Purmorphamine

Purmorphamine is a member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group. It has a role as a SMO receptor agonist and an osteogenesis regulator. It is a member of purines, an aromatic ether, a member of morpholines and a secondary amino compound. It derives from a hydride of a 9H-purine.

CAS Number	483367-10-8
PubChem CID	5284329
IUPAC Name	9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
Molecular Formula	C31H32N6O2
Molecular Weight	520.6
XLogP	6.5
Topological Polar Surface Area	77.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	768

SMILES

C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7

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)

InChIKey

FYBHCRQFSFYWPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 483367-10-8

CID: 5284329

Formula: C31H32N6O2

MW: 520.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.6
XLogP3	6.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	520.25867428
Monoisotopic Mass	520.25867428
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	768
Isotope Atom Count	0
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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Purmorphamine

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