LPAR1 antagonist 2

CAT: 0804-HY-160661Size: 1 EachDry Ice: NoHazardous: No

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Description

LPAR1 antagonist 2 (example 76) is an LPAR1 antagonist with an average IC50 of 130 nM[1].

CAS Number

1664336-46-2

UNSPSC

12352005

Target

LPL Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/lpar1-antagonist-2.html

Solubility

10 mM in DMSO

Smiles

O=C(C1=CC=C(CN(CC)C(C2=CC=C(C=C2)OC3=C(Cl)C=CC=C3)=O)C=C1)O

Molecular Formula

C23H20ClNO4

Molecular Weight

409.86

References & Citations

[1]Preparation of amide derivatives as lysophosphatidic acid receptor antagonists. World Intellectual Property Organization, et al. World Intellectual Property Organization, WO2015025164 A1 2015-02-26.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

LPAR1 antagonist 2

CAS Number	1664336-46-2
PubChem CID	117903669
IUPAC Name	4-[[[4-(2-chlorophenoxy)benzoyl]-ethylamino]methyl]benzoic acid
Molecular Formula	C23H20ClNO4
Molecular Weight	409.9
XLogP	4.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	541

SMILES

CCN(CC1=CC=C(C=C1)C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C23H20ClNO4/c1-2-25(15-16-7-9-18(10-8-16)23(27)28)22(26)17-11-13-19(14-12-17)29-21-6-4-3-5-20(21)24/h3-14H,2,15H2,1H3,(H,27,28)

InChIKey

BIVGLZVHXLZIGP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1664336-46-2

CID: 117903669

Formula: C23H20ClNO4

MW: 409.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	409.9
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	409.1080858
Monoisotopic Mass	409.1080858
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	541
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19262044-01	LPAR1 antagonist 1
GTR19235033-01	LPAR1 antagonist 2
322557-01	LPAR1
10R-4703	LPAR1 antibody
567452-01	LPAR1 (HRP)
567451-01	LPAR1 (FITC)
PPL00007S	PBluescriptR-LPAR1
391155	LPAR1 discontinued

LPAR1 antagonist 2

Chemical Information

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