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EMD 66684

CAT: 0013-GTR19201308-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201308-01Size:25 mg
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Description
This small molecule is a selective angiotensin II type 1 (AT1) receptor antagonist for research use. It is widely applied in cardiovascular and renal research to study hypertension, heart failure, and fibrosis pathways in both cellular assays and animal models.
CAS Number
1216884-39-7
Field of Research
Metabolism Research, Musculoskeletal & Connective Tissue Research
Smiles
Cl.CCCCc1nc2ccn (CC (=O) N (C) C) c (=O) c2n1Cc1ccc (cc1) -c1ccccc1-c1nn[nH]n1
Molecular Formula
C28H31ClN8O2
Molecular Weight
547.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

EMD-66684 (potassium salt)
CAS Number1216884-39-7
PubChem CID56972165
IUPAC Name2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]-N,N-dimethylacetamide;hydrochloride
Molecular FormulaC28H31ClN8O2
Molecular Weight547.0
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity845
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)N(C=C2)CC(=O)N(C)C.Cl
InChI
InChI=1S/C28H30N8O2.ClH/c1-4-5-10-24-29-23-15-16-35(18-25(37)34(2)3)28(38)26(23)36(24)17-19-11-13-20(14-12-19)21-8-6-7-9-22(21)27-30-32-33-31-27;/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,30,31,32,33);1H
InChIKey
YMFXGXGDHBXTPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EMD-66684 (potassium salt)
CAS: 1216884-39-7
CID: 56972165
Formula: C28H31ClN8O2
MW: 547.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass546.2258500
Monoisotopic Mass546.2258500
Topological Polar Surface Area113 Ų
Heavy Atom Count39
Formal Charge0
Complexity845
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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