ASP6432

CAT: 0931-T14335-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T14335-01Size:5 mg

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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 Number	1282549-08-9
PubChem CID	138454774
IUPAC Name	potassium [2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-1,3-thiazole-4-carbonyl]-(ethylsulfamoyl)azanide
Molecular Formula	C26H31KN4O6S2
Molecular Weight	598.8
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Heavy Atom Count	39
Formal Charge	0
Complexity	857

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

CAS: 1282549-08-9

CID: 138454774

Formula: C26H31KN4O6S2

MW: 598.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	598.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	13
Exact Mass	598.13220855
Monoisotopic Mass	598.13220855
Topological Polar Surface Area	153 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	857
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	2
Compound Is Canonicalized	Yes

Related Products

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T8432-01	ASP4132
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Catalog	Name
HY-120478-01	ASP6432
A18759-5	ASP6432 5mg
A18759-50	ASP6432 50mg
A18759-10	ASP6432 10mg
A18759-100	ASP6432 100mg
A18759-25	ASP6432 25mg
A18759-10mM-D	ASP6432 10mM * 1mL in DMSO

ASP6432

Chemical Information

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