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BIBS 39

CAT: 0013-GTR19194780-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194780-02Size:5 mg
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Description
BIBS 39 is a selective, non-peptide antagonist of the angiotensin II receptor. It is utilized in cardiovascular and renal research to investigate the renin-angiotensin system in both in vitro binding assays and in vivo models of hypertension.
CAS Number
133085-33-3
Product Name Alternative
Inhibitor, inhibit, AT2 receptor, Angiotensin Receptor, BIBS 39, BIBS39, BIBS-39
Field of Research
Metabolism Research
Purity
99.28% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:1.5 mg/mL (2.86 mM) ; DMSO:32 mg/mL (60.99 mM)
Smiles
CCCCc1nc2ccc (NC (=O) NC3CCCCC3) cc2n1Cc1ccc (cc1) -c1ccccc1C (O) =O
Molecular Formula
C32H36N4O3
Molecular Weight
524.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bibs 39

structure given in first source; angiotensin II receptor antagonist

CAS Number133085-33-3
PubChem CID131590
IUPAC Name2-[4-[[2-butyl-6-(cyclohexylcarbamoylamino)benzimidazol-1-yl]methyl]phenyl]benzoic acid
Molecular FormulaC32H36N4O3
Molecular Weight524.7
XLogP6.7
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity794
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)NC(=O)NC5CCCCC5
InChI
InChI=1S/C32H36N4O3/c1-2-3-13-30-35-28-19-18-25(34-32(39)33-24-9-5-4-6-10-24)20-29(28)36(30)21-22-14-16-23(17-15-22)26-11-7-8-12-27(26)31(37)38/h7-8,11-12,14-20,24H,2-6,9-10,13,21H2,1H3,(H,37,38)(H2,33,34,39)
InChIKey
OLQFKFSAJNUOPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bibs 39
CAS: 133085-33-3
CID: 131590
Formula: C32H36N4O3
MW: 524.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.7
XLogP36.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass524.27874102
Monoisotopic Mass524.27874102
Topological Polar Surface Area96.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity794
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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