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Rosiptor

CAT: 0931-TQ0032-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TQ0032-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
782487-28-9
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9973
Bioactivity
Rosiptor (AQX-1125) (AQX-1125) is an orally-active and specific phosphatase SHIP1 activator with anti-inflammatory effects.
Smiles
[H][C@@]12CCC(=C)[C@@]1(C)CC[C@@]([H])([C@H]2CN)[C@@]1(C)CC[C@H](O)C[C@@H]1CO
Molecular Formula
C20H35NO2
Molecular Weight
321.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rosiptor

AQX-1125 has been used in trials studying the treatment of COPD, Atopic Dermatitis, Interstitial Cystitis, and Bladder Pain Syndrome.

CAS Number782487-28-9
PubChem CID76965484
IUPAC Name(1S,3S,4R)-4-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-3-(hydroxymethyl)-4-methylcyclohexan-1-ol
Molecular FormulaC20H35NO2
Molecular Weight321.5
XLogP3
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity465
SMILES
C[C@@]1(CC[C@@H](C[C@@H]1CO)O)[C@H]2CC[C@]3([C@H]([C@@H]2CN)CCC3=C)C
InChI
InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1
InChIKey
MDEJTPWQNNMAQF-BVMLLJBZSA-N
Chemical Structure
2D Structure
2D structure of Rosiptor
CAS: 782487-28-9
CID: 76965484
Formula: C20H35NO2
MW: 321.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass321.266779359
Monoisotopic Mass321.266779359
Topological Polar Surface Area66.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8092-5Rosiptor
HY-109011ARosiptor (acetate)
A19434-100Rosiptor 100mg
A19434-10Rosiptor 10mg
A19434-1Rosiptor 1mg
MBS5789768Rosiptor acetate
A19434-50Rosiptor 50mg
A19434-25Rosiptor 25mg
A19434-5Rosiptor 5mg
A19434-10mM-DRosiptor 10mM * 1mL in DMSO

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