Products for Research Use Only
RegisterLogin

GSTO-IN-2

CAT: 0804-HY-112534-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-112534-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
GSTO-IN-2 is a glutathione S-transferase inhibitor with IC50s of 3.6, 16.3, and 1.4 μM for GSTA2, GSTM1, and GSTP1-1.
CAS Number
1202710-57-3
UNSPSC
12352211
Target
Glutathione S-transferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/GSTO-IN-2.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]1([C@@]2([H])[C@H](C)CCC(O)=O)[C@](CC2)([H])[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](OC([C@@H](NC(CC[C@@H](C(O)=O)N)=O)CC(O)=O)=O)C3)C)([H])[C@]4([H])CC1
Molecular Formula
C33H52N2O9
Molecular Weight
620.77
References & Citations
[1]Chang KH, et al. Lithocholic acid analogues, new and potent alpha-2,3-sialyltransferase inhibitors. Chem Commun (Camb) . 2006 Feb 14; (6) :629-31.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gsto-IN-2
CAS Number1202710-57-3
PubChem CID45102203
IUPAC Name(2S)-2-amino-5-[[(2S)-3-carboxy-1-[[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC33H52N2O9
Molecular Weight620.8
XLogP2.4
Topological Polar Surface Area193
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count44
Formal Charge0
Complexity1110
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)[C@H](CC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C)C
InChI
InChI=1S/C33H52N2O9/c1-18(4-11-28(37)38)22-7-8-23-21-6-5-19-16-20(12-14-32(19,2)24(21)13-15-33(22,23)3)44-31(43)26(17-29(39)40)35-27(36)10-9-25(34)30(41)42/h18-26H,4-17,34H2,1-3H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)/t18-,19-,20-,21+,22-,23+,24+,25+,26+,32+,33-/m1/s1
InChIKey
GEYBDXYFLCDBPT-RHGDXGROSA-N
Chemical Structure
2D Structure
2D structure of Gsto-IN-2
CAS: 1202710-57-3
CID: 45102203
Formula: C33H52N2O9
MW: 620.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.8
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass620.36728124
Monoisotopic Mass620.36728124
Topological Polar Surface Area193 Ų
Heavy Atom Count44
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-161876GSTO1-IN-2
HY-P700301Galectin-2/LGALS2, Human (GST)
HY-P7459Acylphosphatase-2/ACYP2, Human (GST)
HY-W011060-01Cryptand 2.2.2
HY-B1500-012,2,2-Trichloroethanol
HY-P75921MAP3K8/TPL-2, Human (sf9, GST)
HY-P702757VEGFR-2, Human (1355a.a, sf9, GST)
HY-P76333FGFR-2, Human (sf9, His-GST)
HY-P73435TIE-2, Human (sf9, His-GST)
HY-P73436TIE-2, Mouse (sf9, His-GST)

Alternative Products

CatalogName
BA7784-5GSTO-IN-2
A20261-50GSTO-IN-2 50mg
A20261-25GSTO-IN-2 25mg
GTR17963861Gsto-2 Antibody
A20261-100GSTO-IN-2 100mg
A20261-5GSTO-IN-2 5mg
A20261-10GSTO-IN-2 10mg
A20261-2GSTO-IN-2 2mg
GTR17963874Gsto-1 Antibody
MBS7158204Rabbit anti-Caenorhabditis elegans gsto-2 Polyclonal Antibody

Popular Products