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AQX-435

CAT: 0804-HY-136268-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-136268-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AQX-435 is a potent SHIP1 phosphatase activator. AQX-435 reduces PI3K activation downstream of the B-cell receptor (BCR) and induces apoptosis of malignant B cells, and reduces lymphoma growth[1][2].
CAS Number
1619983-52-6
UNSPSC
12352005
Target
Apoptosis; Phosphatase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/aqx-435.html
Purity
99.15
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CN=C1)N[C@@H]2C[C@@]3([H])C(C)(C)CCC[C@]3(C)[C@@H](C(C4=CC(O)=CC(O)=C4)=O)[C@@H]2C
Molecular Formula
C27H34N2O4
Molecular Weight
450.57
References & Citations
[1]Lyoyd F. MACKENZIE, et al. Ship1 modulators and methods related thereto.WO2014110036A1.|[2]Lemm EA, et al. Preclinical Evaluation of a Novel SHIP1 Phosphatase Activator for Inhibition of PI3K Signaling in Malignant B Cells. Clin Cancer Res. 2020;26 (7) :1700-1711.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[(2R,3S,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
CAS Number1619983-52-6
PubChem CID90280395
IUPAC NameN-[(2R,3S,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
Molecular FormulaC27H34N2O4
Molecular Weight450.6
XLogP5.3
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity730
SMILES
C[C@@H]1[C@@H](C[C@@H]2[C@@]([C@H]1C(=O)C3=CC(=CC(=C3)O)O)(CCCC2(C)C)C)NC(=O)C4=CN=CC=C4
InChI
InChI=1S/C27H34N2O4/c1-16-21(29-25(33)17-7-5-10-28-15-17)14-22-26(2,3)8-6-9-27(22,4)23(16)24(32)18-11-19(30)13-20(31)12-18/h5,7,10-13,15-16,21-23,30-31H,6,8-9,14H2,1-4H3,(H,29,33)/t16-,21-,22+,23-,27+/m1/s1
InChIKey
JBBCDNNDYGLMOE-LZITZJIASA-N
Chemical Structure
2D Structure
2D structure of N-[(2R,3S,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]pyridine-3-carboxamide
CAS: 1619983-52-6
CID: 90280395
Formula: C27H34N2O4
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass450.25185757
Monoisotopic Mass450.25185757
Topological Polar Surface Area99.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity730
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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