Ajugol - CAS 52949-83-4
Catalog number: 52949-83-4
Category: Inhibitor
Not Intended for Therapeutic Use. For research use only.
Molecular Formula:
C15H24O9
Molecular Weight:
348.35
COA:
Inquire
Targets:
Others
Description:
Ajugol is an iridiod glucoside isolated from the roots of Rehmannia glutinosa.
Purity:
≥95%
Appearance:
Solid powder
Synonyms:
(2S,3S,4R,5R,6S)-6-[[(4aS,7S,7aR)-7-hydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)oxane-2,3,4,5-tetrol;
Solubility:
Soluble in DMSO
Storage:
Store at -20 °C
MSDS:
Inquire
Application:
An iridiod glucoside
Quality Standard:
Enterprise Standard
Shelf Life:
As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Quantity:
Milligrams-Grams
InChIKey:
OUJVIWOUXFHELC-ZDSSIQEISA-N
InChI:
1S/C15H24O9/c1-14(20)4-2-7-3-5-22-12(8(7)14)23-13-10(18)9(17)11(19)15(21,6-16)24-13/h3,5,7-13,16-21H,2,4,6H2,1H3/t7-,8-,9+,10+,11-,12?,13-,14-,15-/m0/s1
Canonical SMILES:
CC1(CCC2C1C(OC=C2)OC3C(C(C(C(O3)(CO)O)O)O)O)O
1.Pharmacokinetics and tissue distribution of Aucubin, Ajugol and Catalpol in rats using a validated simultaneous LC-ESI-MS/MS assay.
Xue B1, Ma B2, Zhang Q3, Li X4, Zhu J2, Liu M2, Wu X2, Wang C2, Wu Z5. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Oct 1;1002:245-53. doi: 10.1016/j.jchromb.2015.08.026. Epub 2015 Aug 28.
To enable an investigation of pharmacokinetics and tissue distribution of Aucubin, Ajugol and Catalpol in rats, a high-performance liquid chromatography-electro spray ionization tandem mass spectrometry (HPLC-ESI-MS/MS) method was developed for the simultaneous quantitative determination of the three compounds. Biological samples were prepared by a simple protein precipitation with methanol (containing 0.05% formic acid). The analytes were separated by a C18 reversed phase column and detected with a triple quadrupole tandem mass spectrometer in the multiple-reaction monitoring (MRM) mode to monitor the precursor-to-product ion transitions of m/z 364.3→149.0 for Aucubin, m/z 366.5→151.1 for Ajugol, m/z 380.0→183.3 for Catalpol and m/z 530.3→183.1 for Picroside-II (IS) in positive ionization. Good linearity of each calibration curve was produced over the concentration range of 1-1000ng/mL. The lower limit of quantification (LLOQ) was 1ng/mL for the three analytes.
2.Chiroptical properties of ajugol investigated by quantum chemical calculation using time-dependent density functional theory.
Li L1, Liu YF, Si YK, Yu DQ. J Asian Nat Prod Res. 2013;15(6):670-9. doi: 10.1080/10286020.2013.802691.
The chiroptical properties of an iridoid glycoside ajugol were fully investigated by quantum chemical calculations of specific optical rotation at the sodium D line ([α]D value), optical rotatory dispersion (ORD), and electronic circular dichroism (ECD) using time-dependent density functional theory (TDDFT). TDDFT calculations of the [α]D value and ORD of ajugol over the range of 365-633 nm were in good agreement with the experimental data. The predicted ECD spectrum of ajugol was also consistent with the experiment, showing a strong negative Cotton effect (CE) at around 190 nm and a weak positive CE at around 220 nm. Our results unambiguously determined the absolute configuration (AC) of the aglycone part of ajugol as (1S, 5R, 6R, 8S, 9S) and supported the generally accepted AC assignments of iridoid glycosides. Semi-empirical rule for the enol ether chromophore, basis set selection, and effect of glucose group on ECD spectra were also discussed in the case of ajugol.
Molecular Weight Calculator Molarity Calculator Solution Dilution Calculator

Related Products


CAS 1025015-40-0 GK921

GK921
(CAS: 1025015-40-0)

GK921 is a transglutaminase 2 (TGase 2) inhibitor with average GI50 of 0.9 μM in cancer cell lines.

L Moses dihydrochloride

L Moses dihydrochloride is a selective, potent and high affinity cell-active p300/CBP-associated factor (PCAF) bromodomain (Brd) inhibitor with Ki value of 47 n...

CAS 406-90-6 Flurossene

Flurossene
(CAS: 406-90-6)

Fluroxene is a volatile, inhalational anesthetic, and was the first halogenated hydrocarbon anesthetic to be introduced.

GBT-440
(CAS: 1446321-46-5)

GBT-440 is a substituted benzaldehyde compound that can modulate sickle hemoglobin (HbS) for treatment of disorders.

CAS 51446-62-9 Phosphatidylserine

Phosphatidylserine
(CAS: 51446-62-9)

Phosphatidylserine is a phospholipid, including both amino and fatty acids. It is an acidic (anionic) phospholipid with three ionizable groups. It is an importa...

CAS 500164-74-9 IP7e

IP7e
(CAS: 500164-74-9)

IP7e is a potent Nurr1 (NR4A2) activator with EC50 value of 3.9 nM, which is important in the development and maintenance of midbrain dopaminergic neurons and i...

CAS 66504-75-4 Bicifadine hydrochloride

Bicifadine hydrochloride
(CAS: 66504-75-4)

Bicifadine hydrochloride is a potent antagonist of SLC6A2 (noradrenalin transporter) (IC50 = 55 nM). Bicifadine also has antagonistic activity at the 5-HT recep...

CAS 130-40-5 Riboflavin 5-phosphate sodium

Riboflavin 5-phosphate sodium
(CAS: 130-40-5)

Riboflavin 5-phosphate sodium, a riboflavin derivative, is a commonly existed nutritional factor and could improve the biomechanical stiffness of corneal.<br/>V...

TAK-683
(CAS: 872719-49-8)

TAK-683 is an investigational peptide derivative of metastin under the development of Millennium. It is a KISS1R protein agonist. Phase I development for prosta...

CAS 1445879-21-9 GSK2837808A

GSK2837808A
(CAS: 1445879-21-9)

GSK2837808A is a potent and specific lactate dehydrogenase A (LDHA) with IC50values of 1.9 and 14 nM for LDHA and LDHB, respectively and inhibits lactate produc...

CAS 102040-03-9 Tubeimoside I

Tubeimoside I
(CAS: 102040-03-9)

Tubeimoside I is a triterpene saponin originally isolated from Bolbostemma that exhibits anti-inflammatory, antiviral, anticancer chemotherapeutic, and chemopre...

CAS 927878-49-7 TFC 007

TFC 007
(CAS: 927878-49-7)

TFC 007 is a potent hematopoietic prostaglandin D synthase (H-PGDS) inhibitor (IC50 = 83 nM). TFC 007 was shown to inhibit PGD2 production and late phase nasal ...

CH 141
(CAS: 78279-88-6)

CH 141 is a peripheral vasodilator.

CAS 1872382-47-2 UNC 3866

UNC 3866
(CAS: 1872382-47-2)

UNC 3866 is a potent and high affinity CBX4 and CBX7 inhibitor (Ki = 94 and 97 nM, respectively) displaying > 6-fold selectivity over other CBX and CDY family m...

CAS 256414-75-2 SEW 2871

SEW 2871
(CAS: 256414-75-2)

SEW 2871 is a potent, cell-permeable and selective sphingosine-1-phosphate type 1 receptor agonist (EC50= 13 nM). SEW 2871 suppresses the immune response by dec...

CAS 28845-86-5 Docosatrienoic Acid

Docosatrienoic Acid
(CAS: 28845-86-5)

Docosatrienoic acid is a rare ω-3 fatty acid, not readily detected in normal phospholipid PUFA pools. Docosatrienoic acid inhibits LTB4 binding to pig neutrophi...

CAS 53947-92-5 Corylin

Corylin
(CAS: 53947-92-5)

Corylin is a major bioactive compound isolated from Psoralea corylifolia L. It is antibiotic or anticancer compound.

CAS 1642300-52-4 Eltanexor

Eltanexor
(CAS: 1642300-52-4)

Eltanexor, also called as KPT-8602, is a second-generation XPO1 inhibitor which is orally bioactive (IC50= 20−211 nM in 10 AML lines after 3 days exposure). It ...

CAS 709-98-8 Propanil

Propanil
(CAS: 709-98-8)

Propanil is a widely used contact herbicide mainly used to control weed growth in rice fields.

CAS 1164500-72-4 ML 145

ML 145
(CAS: 1164500-72-4)

ML 145 is a GPR35 orphan receptor antagonist with IC50 value of 20.1 nM. It can be used in the treatment of disorders affecting the stomach as well as the immun...

Chemical Structure

CAS 52949-83-4 Ajugol

Quick Inquiry

Verification code

Featured Items