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BMS-346567

CAT: 0013-GTR19195350-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195350-01Size:50 mg
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Description
BMS-346567 is a small molecule research compound that acts as a dual antagonist, simultaneously blocking angiotensin II and endothelin receptors. It is utilized in cardiovascular and renal research to investigate receptor signaling pathways in both in vitro assays and in vivo models of hypertension.
CAS Number
953807-31-3
Smiles
O=C1C2 (N=C (CCCC) N1CC3=CC (COCC) =C (C=C3) C4=C (S (NC=5C (C) =C (C) ON5) (=O) =O) C=CC=C4) CCCCC2
Molecular Formula
C33H42N4O5S
Molecular Weight
606.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-346567
CAS Number953807-31-3
PubChem CID72941962
IUPAC Name2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
Molecular FormulaC33H42N4O5S
Molecular Weight606.8
XLogP5.6
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity1070
SMILES
CCCCC1=NC2(CCCCC2)C(=O)N1CC3=CC(=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC5=NOC(=C5C)C)COCC
InChI
InChI=1S/C33H42N4O5S/c1-5-7-15-30-34-33(18-11-8-12-19-33)32(38)37(30)21-25-16-17-27(26(20-25)22-41-6-2)28-13-9-10-14-29(28)43(39,40)36-31-23(3)24(4)42-35-31/h9-10,13-14,16-17,20H,5-8,11-12,15,18-19,21-22H2,1-4H3,(H,35,36)
InChIKey
CWMQUSPFWVHUGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-346567
CAS: 953807-31-3
CID: 72941962
Formula: C33H42N4O5S
MW: 606.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight606.8
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass606.28759163
Monoisotopic Mass606.28759163
Topological Polar Surface Area122 Ų
Heavy Atom Count43
Formal Charge0
Complexity1070
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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