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BMS-986278

CAT: 1568-C01440-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01440-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2170126-74-4
Target
LPA Receptor
Applications
GPCR & G Protein
Molecular Formula
C22H31N5O5
Additionnal Information
BMS-986278 is a potent and orally active antagonist of lysophosphatidic acid receptor 1 (LPA1) . BMS-986278 exhibits Kbs of 6.9 nM and 4.0 nM for human and mouse LPA1, respectively, and is widely used in the research of pulmonary fibrotic diseases.

Chemical Information

Bms-986278
CAS Number2170126-74-4
PubChem CID132232205
IUPAC Nametrans-(1S,3S)-3-[[2-methyl-6-[1-methyl-5-[[methyl(propyl)carbamoyl]oxymethyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
Molecular FormulaC22H31N5O5
Molecular Weight445.5
XLogP2.1
Topological Polar Surface Area120
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity638
SMILES
CCCN(C)C(=O)OCC1=C(N=NN1C)C2=NC(=C(C=C2)O[C@H]3CCC[C@@H](C3)C(=O)O)C
InChI
InChI=1S/C22H31N5O5/c1-5-11-26(3)22(30)31-13-18-20(24-25-27(18)4)17-9-10-19(14(2)23-17)32-16-8-6-7-15(12-16)21(28)29/h9-10,15-16H,5-8,11-13H2,1-4H3,(H,28,29)/t15-,16-/m0/s1
InChIKey
UEUNDURNLYLSNB-HOTGVXAUSA-N
Chemical Structure
2D Structure
2D structure of Bms-986278
CAS: 2170126-74-4
CID: 132232205
Formula: C22H31N5O5
MW: 445.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass445.23251911
Monoisotopic Mass445.23251911
Topological Polar Surface Area120 Ų
Heavy Atom Count32
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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