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Protoveratrine A

CAT: 0804-HY-105697-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-105697-01Size:1 mg
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Description
Protoveratrine A (NSC 7526; Protalba; Protoveratrin) is an alkaloid with strong cardiostimulant and vasoconstrictive effects, which can be used in the study of hypertension and other cardiovascular diseases[1].
CAS Number
143-57-7
Product Name Alternative
NSC 7526; Protalba; Protoveratrin
UNSPSC
12352005
Hazard Statement
H300+H310+H330
Target
Glutamate Dehydrogenase (GLDH)
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/protoveratrine-a.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@]34[C@]([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]1([H])[C@@](O)([C@@H](OC([C@@](C)(O)CC)=O)CC2)O4)([H])[C@@]5(O)[C@@]([C@@]6([H])[C@]([C@](O)([C@@]7([H])N(C[C@@H](C)CC7)C6)C)([H])[C@@H](O)[C@@H]5OC([C@H](C)CC)=O)([H])C3
Molecular Formula
C41H63NO14
Molecular Weight
793.94
Precautions
H300+H310+H330
References & Citations
[1]B M WINER, et al. Comparative studies of protoveratrine A and protoveratrine B intravenously in hypertensive man. Circulation. 1960 Dec;22:1074-82.|[2]Huger F P, et al. Tetrodotoxin inhibition in vitro of protoveratrine A-activated glutamate decarboxylase in synaptosomes[J]. Biochemical Pharmacology, 1980, 29 (21) : 3034-3036.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Protoveratrine A

Protoveratrine A is an alkaloid.

CAS Number143-57-7
PubChem CID8931
IUPAC Name[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16S,17R,18R,19S,22S,23S,25R)-16,17-diacetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
Molecular FormulaC41H63NO14
Molecular Weight793.9
XLogP2.1
Topological Polar Surface Area219
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count56
Formal Charge0
Complexity1630
SMILES
CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H]([C@@H]([C@H]6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O
InChI
InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
InChIKey
HYTGGNIMZXFORS-MGYKWWNKSA-N
Chemical Structure
2D Structure
2D structure of Protoveratrine A
CAS: 143-57-7
CID: 8931
Formula: C41H63NO14
MW: 793.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight793.9
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass793.42485568
Monoisotopic Mass793.42485568
Topological Polar Surface Area219 Ų
Heavy Atom Count56
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
582683Protoveratrine A
FP76725-01Protoveratrine
P28490Protoveratrine B

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