TAK-615

CAT: 0804-HY-117959-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-117959-01Size:5 mg

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Description

TAK-615 is a negative allosteric modulator (NAM) of the LPA1 receptor for the research of pulmonary fibrosis. TAK-615 binds the LPA1 receptor with high affinity (Kd high affinity of 1.7 nM and Kd low affinity of 14.5 nM) [1].

CAS Number

1664335-55-0

Product Name Alternative

TAK-013

UNSPSC

12352005

Target

LPL Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/tak-615.html

Concentration

10mM

Purity

98.97

Solubility

DMSO : 125 mg/mL (ultrasonic)

Smiles

O=C(O)C1=CC=C(CN(CC2CC2)C(C3=CC=C(OC4=CC=CC=C4F)C=C3)=O)C=C1

Molecular Formula

C25H22FNO4

Molecular Weight

419.44

References & Citations

[1]Jonathan Ellery, et al. Identification of Compounds Acting as Negative Allosteric Modulators of the LPA 1 Receptor. Eur J Pharmacol. 2018 Aug 15;833:8-15.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

LPAR1

Chemical Information

4-((N-(Cyclopropylmethyl)-4-(2-fluorophenoxy)benzamido)methyl)benzoic acid

CAS Number	1664335-55-0
PubChem CID	90659729
IUPAC Name	4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid
Molecular Formula	C25H22FNO4
Molecular Weight	419.4
XLogP	4.8
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	31
Formal Charge	0
Complexity	609

SMILES

C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)

InChIKey

LEZVXIZCJXKBJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1664335-55-0

CID: 90659729

Formula: C25H22FNO4

MW: 419.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	419.4
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	419.15328635
Monoisotopic Mass	419.15328635
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	609
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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T9699-01	TAK-615
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FMD12782	BMS-615
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510232	TAK-715
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FT27989	TAK 901

TAK-615

Chemical Information

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