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Prostaglandin E2-biotin

CAT: 0804-HY-157807Size: 100 μg (754.24 μM x 200 μL in Ethanol)Dry Ice: NoHazardous: No
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CAT#:0804-HY-157807Size:100 μg (754.24 μM x 200 μL in Ethanol)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Prostaglandin E2-biotin is a prostaglandin analog. Prostaglandin E2-biotin can be used for research of Nurr1-related disease, such as cancer and autoimmune disease[1].
CAS Number
2641624-60-2
UNSPSC
12352005
Target
Nuclear Hormone Receptor 4A/NR4A
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/prostaglandin-e2-biotin.html
Concentration
754.24 μM * 200 μL in Ethanol
Purity
99.0
Solubility
10 mM in DMSO
Smiles
CCCCC[C@H](O)/C=C/[C@@H]([C@@H](CC1=O)O)[C@H]1C/C=C\CCCC(NCCCCCNC(CCCC[C@@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O)=O
Molecular Formula
C35H58N4O6S
Molecular Weight
662.92
References & Citations
[1]Yoon C, et al. Prostaglandin analogs and uses thereof. US20210139435A1. 2021-05-13.
Shipping Conditions
Blue Ice
Storage Conditions
Solution, -20°C, 2 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Prostaglandin E2-biotin
CAS Number2641624-60-2
PubChem CID124587500
IUPAC Name(Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide
Molecular FormulaC35H58N4O6S
Molecular Weight662.9
XLogP3.1
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count23
Heavy Atom Count46
Formal Charge0
Complexity1020
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O)O
InChI
InChI=1S/C35H58N4O6S/c1-2-3-7-14-25(40)19-20-27-26(29(41)23-30(27)42)15-8-4-5-9-17-32(43)36-21-12-6-13-22-37-33(44)18-11-10-16-31-34-28(24-46-31)38-35(45)39-34/h4,8,19-20,25-28,30-31,34,40,42H,2-3,5-7,9-18,21-24H2,1H3,(H,36,43)(H,37,44)(H2,38,39,45)/b8-4-,20-19+/t25-,26+,27+,28-,30+,31+,34-/m0/s1
InChIKey
PREZBUUQJJPPFV-VTPUZKRBSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin E2-biotin
CAS: 2641624-60-2
CID: 124587500
Formula: C35H58N4O6S
MW: 662.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.9
XLogP33.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count23
Exact Mass662.40770676
Monoisotopic Mass662.40770676
Topological Polar Surface Area182 Ų
Heavy Atom Count46
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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