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Cis-ent-Tadalafil

CAT: 0013-GTR19219791-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219791-01Size:1 mg
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Description
Cis-ent-Tadalafil (cis-ent-IC-351) is a stereoisomer of tadalafil that acts as a potent and selective PDE5 inhibitor. Its primary research applications include studying cardiovascular physiology, where it is used in both in vitro enzymatic assays and in vivo models to investigate mechanisms of vasodilation and blood pressure regulation.
CAS Number
171596-28-4
Product Name Alternative
Cis-ent-IC 351, cis-ent-IC351, cis-ent-IC-351, cis-ent-Tadalafil, (6S,12aR) -Tadalafil, PDE5, Tadalafil, (6S,12aR) -
Field of Research
Immunology & Inflammation; Pharmacology & Drug Discovery, Metabolism Research
Purity
99.86% (May vary between batches)
Smiles
O=C1N2[C@H] (C3=C (C=4C (N3) =CC=CC4) C[C@@]2 (C (=O) N (C) C1) [H]) C=5C=C6C (=CC5) OCO6
Molecular Formula
C22H19N3O4
Molecular Weight
389.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tadalafil, (6S,12aR)-
CAS Number171596-28-4
PubChem CID9865139
IUPAC Name(2S,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Molecular FormulaC22H19N3O4
Molecular Weight389.4
XLogP2.3
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity702
SMILES
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
InChI
InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21+/m1/s1
InChIKey
WOXKDUGGOYFFRN-IERDGZPVSA-N
Chemical Structure
2D Structure
2D structure of Tadalafil, (6S,12aR)-
CAS: 171596-28-4
CID: 9865139
Formula: C22H19N3O4
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass389.13755610
Monoisotopic Mass389.13755610
Topological Polar Surface Area74.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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