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SR9009

CAT: 0804-HY-16989-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16989-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SR9009 is a REV-ERBα/β agonist with IC50s of 670 nM and 800 nM for REV-ERBα and REV-ERBβ, respectively.
CAS Number
1379686-30-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy
Type
Reference compound
Related Pathways
Autophagy
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/SR9009.html
Purity
99.46
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(N1CC(CN(CC2=CC=C(Cl)C=C2)CC3=CC=C([N+]([O-])=O)S3)CC1)OCC
Molecular Formula
C20H24ClN3O4S
Molecular Weight
437.94
Precautions
H302, H315, H319, H335
References & Citations
[1]Solt LA, et al. Regulation of circadian behaviour and metabolism by synthetic REV-ERB agonists. Nature. 2012 Mar 29;485 (7396) :62-68.
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

Ethyl 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-1-pyrrolidinecarboxylate

SR-9009 is a REV-ERB agonist. SR-9011 has been demonstrated that it is specifically lethal to cancer cells and oncogene-induced senescent cells, including melanocytic naevi, and has no effect on the viability of normal cells or tissues.

CAS Number1379686-30-2
PubChem CID57394020
IUPAC Nameethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.9
XLogP4.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity556
SMILES
CCOC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3
InChIKey
MMJJNHOIVCGAAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-((((4-chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-1-pyrrolidinecarboxylate
CAS: 1379686-30-2
CID: 57394020
Formula: C20H24ClN3O4S
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight437.9
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass437.1176051
Monoisotopic Mass437.1176051
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes