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L162441

CAT: 0013-GTR19205591-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205591-02Size:50 mg
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Description
L162441 is a selective angiotensin II type 1 (AT1) receptor antagonist. It is a valuable research tool for investigating the renin-angiotensin system in cardiovascular and renal research, applicable in both in vitro binding assays and in vivo hypertension models.
CAS Number
154512-46-6
Field of Research
Metabolism Research
Smiles
C (N1C=2C (N=C1CCCC) =CC (NC (CCCC) =O) =C (C) N2) C3=CC=C (C=C3) C4=C (S (NC (OCCCC) =O) (=O) =O) C=CC=C4
Molecular Formula
C34H43N5O5S
Molecular Weight
633.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

butyl N-[2-[4-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
CAS Number154512-46-6
PubChem CID9917295
IUPAC Namebutyl N-[2-[4-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular FormulaC34H43N5O5S
Molecular Weight633.8
XLogP7
Topological Polar Surface Area141
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
CCCCC1=NC2=CC(=C(N=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCCCC)C)NC(=O)CCCC
InChI
InChI=1S/C34H43N5O5S/c1-5-8-15-31-36-29-22-28(37-32(40)16-9-6-2)24(4)35-33(29)39(31)23-25-17-19-26(20-18-25)27-13-11-12-14-30(27)45(42,43)38-34(41)44-21-10-7-3/h11-14,17-20,22H,5-10,15-16,21,23H2,1-4H3,(H,37,40)(H,38,41)
InChIKey
WBIXDQUYJJTNNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of butyl N-[2-[4-[[2-butyl-5-methyl-6-(pentanoylamino)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]phenyl]sulfonylcarbamate
CAS: 154512-46-6
CID: 9917295
Formula: C34H43N5O5S
MW: 633.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight633.8
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass633.29849066
Monoisotopic Mass633.29849066
Topological Polar Surface Area141 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
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

Alternative Products

CatalogName
EGA51246L162441

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