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Ent- (+) -Verticilide

CAT: 0013-GTR19235399-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235399-01Size:50 mg
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Description
Ent- (+) -Verticilide is a potent and selective inhibitor of the cardiac ryanodine receptor (RyR2), effectively suppressing diastolic Ca2+ leak with a unique mechanism. This makes it a superior pharmacological tool compared to agents like Dantrolene for studying RyR2 hyperactivity in cardiac arrhythmia research, both in vitro and in animal models.
CAS Number
2056011-05-1
Field of Research
Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (CCCC) [C@H]1C (=O) N (C) [C@H] (C) C (=O) O[C@@H] (CCCCC) C (=O) N (C) [C@H] (C) C (=O) O[C@@H] (CCCCC) C (=O) N (C) [C@H] (C) C (=O) O[C@@H] (CCCCC) C (=O) N (C) [C@H] (C) C (=O) O1
Molecular Formula
C44H76N4O12
Molecular Weight
853.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ent-(+)-Verticilide
CAS Number2056011-05-1
PubChem CID157622000
IUPAC Name(3R,6S,9R,12S,15R,18S,21R,24S)-3,4,9,10,15,16,21,22-octamethyl-6,12,18,24-tetrapentyl-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
Molecular FormulaC44H76N4O12
Molecular Weight853.1
XLogP8.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1220
SMILES
CCCCC[C@H]1C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)O1)C)C)CCCCC)C)C)CCCCC)C)C)CCCCC)C)C
InChI
InChI=1S/C44H76N4O12/c1-13-17-21-25-33-37(49)45(9)30(6)42(54)58-35(27-23-19-15-3)39(51)47(11)32(8)44(56)60-36(28-24-20-16-4)40(52)48(12)31(7)43(55)59-34(26-22-18-14-2)38(50)46(10)29(5)41(53)57-33/h29-36H,13-28H2,1-12H3/t29-,30-,31-,32-,33+,34+,35+,36+/m1/s1
InChIKey
CMEGQABRBDDBTQ-WRRUDTOOSA-N
Chemical Structure
2D Structure
2D structure of Ent-(+)-Verticilide
CAS: 2056011-05-1
CID: 157622000
Formula: C44H76N4O12
MW: 853.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight853.1
XLogP38.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass852.54597387
Monoisotopic Mass852.54597387
Topological Polar Surface Area186 Ų
Heavy Atom Count60
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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