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TA-606

CAT: 0013-GTR19196377-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196377-02Size:50 mg
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Description
TA-606 is a selective angiotensin II type 1 receptor (AT1R) antagonist, functioning as a research tool for studying hypertension. It is utilized in both in vitro binding assays and in vivo models to investigate the renin-angiotensin system and cardiovascular pathophysiology.
CAS Number
190602-72-3
Field of Research
Metabolism Research
Smiles
Cl.O=C (OCOC (=O) C1C2=C (N=C (N2CC=3C=CC (=CC3) C=4C=CC=CC4C5=NN=NN5) CCC) CCN1C (=O) C) OC (CC) CC
Molecular Formula
C33H40ClN7O6
Molecular Weight
666.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(((pentan-3-yloxy)carbonyl)oxy)methyl 3-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-5-acetyl-2-propyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4-carboxylate hydrochloride
CAS Number190602-72-3
PubChem CID9917775
IUPAC Namepentan-3-yloxycarbonyloxymethyl 5-acetyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxylate;hydrochloride
Molecular FormulaC33H40ClN7O6
Molecular Weight666.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count47
Formal Charge0
Complexity1010
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(N(CC2)C(=O)C)C(=O)OCOC(=O)OC(CC)CC.Cl
InChI
InChI=1S/C33H39N7O6.ClH/c1-5-10-28-34-27-17-18-39(21(4)41)30(32(42)44-20-45-33(43)46-24(6-2)7-3)29(27)40(28)19-22-13-15-23(16-14-22)25-11-8-9-12-26(25)31-35-37-38-36-31;/h8-9,11-16,24,30H,5-7,10,17-20H2,1-4H3,(H,35,36,37,38);1H
InChIKey
GEUFBLVOYZGVMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (((pentan-3-yloxy)carbonyl)oxy)methyl 3-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-5-acetyl-2-propyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-4-carboxylate hydrochloride
CAS: 190602-72-3
CID: 9917775
Formula: C33H40ClN7O6
MW: 666.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight666.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass665.2728597
Monoisotopic Mass665.2728597
Topological Polar Surface Area154 Ų
Heavy Atom Count47
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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