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AG-205

CAT: 0804-HY-115625-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115625-01Size:1 mg
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Description
AG-205 is a progesterone receptor membrane component-1 (PGRMC1) inhibitor with anti-mitotic, anti-migratory and anti-invasive activities. AG-205 increases expression of genes coding enzymes of the cholesterol biosynthetic pathway or of steroidogenesis. AG-205 promotes Apoptosis modified regulation of the cell cycle and reduces cell migration and invasion capacities in ovary and breast cancer cells[1].
CAS Number
1375078-57-1
Product Name Alternative
(1S,3R)-RSL3
UNSPSC
12352005
Target
Apoptosis; Progesterone Receptor
Type
Reference compound
Related Pathways
Apoptosis; Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ag-205.html
Purity
99
Smiles
CC1=CC2=C(C=C1)N([C@@]3([H])[C@]2([H])CN(CC3)C)C(CSC4=NN=NN4C5=CC=C(C=C5)Cl)=O
Molecular Formula
C22H23ClN6OS
Molecular Weight
454.98
References & Citations
[1]Thieffry C, et al. AG-205 Upregulates Enzymes Involved in Cholesterol Biosynthesis and Steroidogenesis in Human Endometrial Cells Independently of PGRMC1 and Related MAPR Proteins. Biomolecules. 2021 Oct 6;11 (10) :1472.
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

AG-205

a progesterone receptor membrane component 1 antagonist, ablates progesterone's ability to block oxidative stress-induced apoptosis of human granulosa/luteal cells

CAS Number1375078-57-1
PubChem CID1202545
IUPAC Name1-[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylethanone
Molecular FormulaC22H23ClN6OS
Molecular Weight455.0
XLogP4.2
Topological Polar Surface Area92.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
CC1=CC2=C(C=C1)N([C@H]3[C@@H]2CN(CC3)C)C(=O)CSC4=NN=NN4C5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H23ClN6OS/c1-14-3-8-19-17(11-14)18-12-27(2)10-9-20(18)28(19)21(30)13-31-22-24-25-26-29(22)16-6-4-15(23)5-7-16/h3-8,11,18,20H,9-10,12-13H2,1-2H3/t18-,20-/m1/s1
InChIKey
GJNBAISSZRNGTM-UYAOXDASSA-N
Chemical Structure
2D Structure
2D structure of AG-205
CAS: 1375078-57-1
CID: 1202545
Formula: C22H23ClN6OS
MW: 455.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.0
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass454.1342582
Monoisotopic Mass454.1342582
Topological Polar Surface Area92.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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