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Penitrem A

CAT: 0013-GTR19205174-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205174-01Size:1 mg
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Description
Penitrem A is a tremorgenic indole-diterpenoid mycotoxin that acts as a selective BK channel blocker. It is widely used in neuroscience research to model tremor disorders in vivo and to study neurotransmitter release mechanisms, such as glutamate and GABA exocytosis, in vitro.
CAS Number
12627-35-9
Product Name Alternative
Tremortin A; NSC354845
Field of Research
Cancer Biology
Purity
>98%
Bioactivity
High conductance Ca activated K+ channel inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 6 mg/ml)
Smiles
[H][C@@]12O[C@]11[C@] ([H]) (CC[C@]3 (C) [C@@]4 (C) c5[nH]c6cc (Cl) c7CC (=C) [C@@]8 ([H]) C[C@@]9 ([H]) [C@@]8 (O) c7c6c5[C@@] ([H]) (OC9 (C) C) [C@]4 ([H]) CC[C@@]13O) O[C@@H] ([C@@H]2O) C (C) =C
Molecular Formula
C37H44ClNO6
Molecular Weight
634.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Penitrem A

Penitrem A is an organic heterotricyclic compound and an organooxygen compound.

CAS Number12627-35-9
PubChem CID6610243
IUPAC Name(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol
Molecular FormulaC37H44ClNO6
Molecular Weight634.2
XLogP3.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count45
Formal Charge0
Complexity1420
SMILES
CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O
InChI
InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
InChIKey
JDUWHZOLEDOQSR-JKPSMKLGSA-N
Chemical Structure
2D Structure
2D structure of Penitrem A
CAS: 12627-35-9
CID: 6610243
Formula: C37H44ClNO6
MW: 634.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.2
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass633.2857158
Monoisotopic Mass633.2857158
Topological Polar Surface Area107 Ų
Heavy Atom Count45
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
P3205-01Penitrem A
HY-N6776RPenitrem A (Standard)
BI9892Penitrem B
BI9893Penitrem E
MSS1036-01Pribolab® Penitrem A
BIP1006-01Penitrem A from Penicillium paxilli
TBI2099-5MGPenitrem A, High conductance Ca activated K+ channel inhibitor

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