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BMS-248360

CAT: 0931-T14672-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T14672-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
254737-87-6
Target
Endothelin Receptor, RAAS, Others
Related Pathways
GPCR/G Protein, Endocrinology/Hormones, Others
Bioactivity
BMS-248360 is a potent, orally active dual antagonist of both angiotensin II receptor (AT1) and endothelin A (ETA) receptor, with Kis of 10 nM and 1.9 nM for hAT1 and hETA receptors, respectively. BMS-248360 demonstrates hypertensive effects[1].
Smiles
O=C1C2(N=C(CCCC)N1CC3=CC(CN4C(=O)C(C)(C)CC4)=C(C=C3)C5=C(S(NC6=C(C)C(C)=NO6)(=O)=O)C=CC=C5)CCCC2
Molecular Formula
C36H45N5O5S
Molecular Weight
659.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms-248360

an antagonist of both angiotensin II and endothelin A receptors; structure in first source

CAS Number254737-87-6
PubChem CID9895957
IUPAC Name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-[(3,3-dimethyl-2-oxopyrrolidin-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Molecular FormulaC36H45N5O5S
Molecular Weight659.8
XLogP5.3
Topological Polar Surface Area134
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1290
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=C(C(=NO5)C)C)CN6CCC(C6=O)(C)C
InChI
InChI=1S/C36H45N5O5S/c1-6-7-14-31-37-36(17-10-11-18-36)34(43)41(31)22-26-15-16-28(27(21-26)23-40-20-19-35(4,5)33(40)42)29-12-8-9-13-30(29)47(44,45)39-32-24(2)25(3)38-46-32/h8-9,12-13,15-16,21,39H,6-7,10-11,14,17-20,22-23H2,1-5H3
InChIKey
NBDFXMDYBLSGLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-248360
CAS: 254737-87-6
CID: 9895957
Formula: C36H45N5O5S
MW: 659.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight659.8
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass659.31414073
Monoisotopic Mass659.31414073
Topological Polar Surface Area134 Ų
Heavy Atom Count47
Formal Charge0
Complexity1290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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