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ASP6432

CAT: 0931-T14335-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14335-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1282549-08-9
Target
LPA Receptor, LPL Receptor
Related Pathways
GPCR/G Protein
Bioactivity
ASP6432 is an antagonist of type 1 lysophosphatidic acid receptor (LPA1) . For human LPA1 and rat LPA1, the IC50s are 11 nM and 30 nM , respectively.
Smiles
[K].CCNS(=O)(=O)NC(=O)c1csc(CN(CCCc2ccccc2)C(=O)c2cc(OC)c(C)c(OC)c2)n1
Molecular Formula
C26H32KN4O6S2
Molecular Weight
599.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Asp-6432

a novel LPA1 antagonist

CAS Number1282549-08-9
PubChem CID138454774
IUPAC Namepotassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide
Molecular FormulaC26H31KN4O6S2
Molecular Weight598.8
Topological Polar Surface Area153
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count39
Formal Charge0
Complexity857
SMILES
CCNS(=O)(=O)[N-]C(=O)C1=CSC(=N1)CN(CCCC2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)C)OC.[K+]
InChI
InChI=1S/C26H32N4O6S2.K/c1-5-27-38(33,34)29-25(31)21-17-37-24(28-21)16-30(13-9-12-19-10-7-6-8-11-19)26(32)20-14-22(35-3)18(2)23(15-20)36-4;/h6-8,10-11,14-15,17,27H,5,9,12-13,16H2,1-4H3,(H,29,31);/q;+1/p-1
InChIKey
WKYBXXHNGOTYDD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Asp-6432
CAS: 1282549-08-9
CID: 138454774
Formula: C26H31KN4O6S2
MW: 598.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass598.13220855
Monoisotopic Mass598.13220855
Topological Polar Surface Area153 Ų
Heavy Atom Count39
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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