Ent- (+) -Verticilide

CAT: 0013-GTR19235399-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19235399-02Size:10 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 Number	2056011-05-1
PubChem CID	157622000
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 Formula	C44H76N4O12
Molecular Weight	853.1
XLogP	8.9
Topological Polar Surface Area	186
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Heavy Atom Count	60
Formal Charge	0
Complexity	1220

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

CAS: 2056011-05-1

CID: 157622000

Formula: C44H76N4O12

MW: 853.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	853.1
XLogP3	8.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	16
Exact Mass	852.54597387
Monoisotopic Mass	852.54597387
Topological Polar Surface Area	186 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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