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BMS-986020

CAT: 0957-S3572-02Size: 10 mm/ 1 mLDry Ice: NoHazardous: No
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CAT#:0957-S3572-02Size:10 mm/ 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-986020 (AM152, AP-3152 free acid) is a potent and selective antagonist of lysophosphatidic acid receptor 1 (LPA1) . BMS-986020 inhibits bile acid and phospholipid transporters with IC50 of 4.8 μM, 6.2 μM, and 7.5 μM for BSEP, MRP4, and MDR3, respectively. BMS-986020 has the potential for the treatment of idiopathic pulmonary fibrosis (IPF) .
CAS Number
1257213-50-5
Synonyms
AM152, AP-3152 free acid
Target
LPA Receptor
Activity
GPCR & G Protein
Molecular Formula
C29H26N2O5
Storage Conditions
3 years -20°C powder

Chemical Information

Bms-986020

BMS-986020 is under investigation in clinical trial NCT02017730 (To Evaluate The Relationship Between Plasma Drug Levels And Receptor Binding in Lung Using PET (Positron Emission Tomography) In Healthy Volunteers).

CAS Number1257213-50-5
PubChem CID49792850
IUPAC Name1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
Molecular FormulaC29H26N2O5
Molecular Weight482.5
XLogP5.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity764
SMILES
CC1=NOC(=C1NC(=O)O[C@H](C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)O
InChI
InChI=1S/C29H26N2O5/c1-18-25(30-28(34)35-19(2)20-6-4-3-5-7-20)26(36-31-18)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(32)33/h3-15,19H,16-17H2,1-2H3,(H,30,34)(H,32,33)/t19-/m1/s1
InChIKey
GQBRZBHEPUQRPL-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Bms-986020
CAS: 1257213-50-5
CID: 49792850
Formula: C29H26N2O5
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass482.18417193
Monoisotopic Mass482.18417193
Topological Polar Surface Area102 Ų
Heavy Atom Count36
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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