Products for Research Use Only
RegisterLogin

IPAG

CAT: 0804-HY-100985-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-100985-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
IPAG is a potent sigma-1 receptor antagonist with a pKi of 4.3[1]. IPAG induces apoptosis[2].
CAS Number
193527-91-2
UNSPSC
12352005
Hazard Statement
H410
Target
Sigma Receptor
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ipag.html
Purity
99.84
Solubility
DMSO : 8.33 mg/mL (ultrasonic; adjust pH to 3 with 1M HCl; heat to 60°C)
Smiles
N=C(NC1=CC=C(I)C=C1)NC2[C@H]3C[C@H](C4)C[C@@H]2C[C@H]4C3
Molecular Formula
C17H22IN3
Molecular Weight
395.28
Precautions
P273-P391-P501
References & Citations
[1]James M Brimson, et al. Simple ammonium salts acting on sigma-1 receptors yield potential treatments for cancer and depression. Sci Rep. 2020 Jun 8;10 (1) :9251.|[2]Halley M Oyer, et al.Small-Molecule Modulators of Sigma1 and Sigma2/TMEM97 in the Context of Cancer: Foundational Concepts and Emerging Themes. Front Pharmacol. 2019 Oct 21;10:1141.|[3]Felix J Kim, et al. Inhibition of tumor cell growth by Sigma1 ligand mediated translational repression. Biochem Biophys Res Commun. 2012 Sep 21;426 (2) :177-82.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(4-Iodophenyl)-3-(2-adamantyl)guanidine

IPAG is a potent sigma-receptor antagonist.

CAS Number193527-91-2
PubChem CID4239764
IUPAC Name2-(2-adamantyl)-1-(4-iodophenyl)guanidine
Molecular FormulaC17H22IN3
Molecular Weight395.28
XLogP3.6
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity386
SMILES
C1C2CC3CC1CC(C2)C3N=C(N)NC4=CC=C(C=C4)I
InChI
InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-17(19)21-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2,(H3,19,20,21)
InChIKey
UUKPIWYXWLJPJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Iodophenyl)-3-(2-adamantyl)guanidine
CAS: 193527-91-2
CID: 4239764
Formula: C17H22IN3
MW: 395.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.28
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass395.08585
Monoisotopic Mass395.08585
Topological Polar Surface Area50.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-15663-01IPA-3
HY-172219CUR-IPA
HY-15663R-01IPA-3 (Standard)
HY-173088SIPAK (pT) PPAPK- (Lys-13C6,15N2) (TFA)
HY-P0020Tos-Gly-Pro-Arg-ANBA-IPA
HY-P0020A-01Tos-Gly-Pro-Arg-ANBA-IPA (acetate)

Alternative Products

CatalogName
T22870-01IPAG

Popular Products