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(R) -OP-1074

CAT: 0804-HY-125263B-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125263B-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R) -OP-1074 is an isomer of OP-1074 and can serve as a control compound in experiments. OP-1074, a pure anti-estrogen drug, is a selective ER degrader (PA-SERD) with specific anti-estrogenic activity against ERα and ERβ, inhibiting 17β-estradiol (E2) -stimulated transcription with IC50 values of 1.6 and 3.2 nM, respectively.
CAS Number
1443752-77-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Estrogen Receptor/ERR
Type
Reference compound
Related Pathways
Vitamin D Related/Nuclear Receptor
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/r-op-1074.html
Purity
98.24
Solubility
DMSO : 220 mg/mL (ultrasonic)
Smiles
OC1=CC=C2C(C)=C(C3=CC=C(O)C=C3)[C@@H](C4=CC=C(OCCN5C[C@H](C)CC5)C=C4)OC2=C1
Molecular Formula
C29H31NO4
Molecular Weight
457.56
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Fanning SW, et al. Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.Nat Commun. 2018 Jun 18;9 (1) :2368.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, stored under nitrogen, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(R)-3-(4-Hydroxyphenyl)-4-methyl-2-(4-(2-((R)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-2H-chromen-7-ol
CAS Number1443752-77-9
PubChem CID89619985
IUPAC Name(2R)-3-(4-hydroxyphenyl)-4-methyl-2-[4-[2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy]phenyl]-2H-chromen-7-ol
Molecular FormulaC29H31NO4
Molecular Weight457.6
XLogP5.3
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity694
SMILES
C[C@@H]1CCN(C1)CCOC2=CC=C(C=C2)[C@@H]3C(=C(C4=C(O3)C=C(C=C4)O)C)C5=CC=C(C=C5)O
InChI
InChI=1S/C29H31NO4/c1-19-13-14-30(18-19)15-16-33-25-10-5-22(6-11-25)29-28(21-3-7-23(31)8-4-21)20(2)26-12-9-24(32)17-27(26)34-29/h3-12,17,19,29,31-32H,13-16,18H2,1-2H3/t19-,29-/m1/s1
InChIKey
KDVXAPCZVZMPMU-SONOPUAISA-N
Chemical Structure
2D Structure
2D structure of (R)-3-(4-Hydroxyphenyl)-4-methyl-2-(4-(2-((R)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-2H-chromen-7-ol
CAS: 1443752-77-9
CID: 89619985
Formula: C29H31NO4
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass457.22530847
Monoisotopic Mass457.22530847
Topological Polar Surface Area62.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity694
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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