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SR9011

CAT: 0013-GTR19160546-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160546-04Size:2 mg
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Description
SR9011 is a REV-ERB-α/β agonist that increases the constitutive repression of genes regulated by REV-ERBα and REV-ERBβ with IC50 values of 790 and 560 nM, respectively.
CAS Number
1379686-29-9
Product Name Alternative
SR9011 | SR 9011 | SR-9011
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 43 mg/mL. 89.76 mM
Smiles
C1 (ccc (cc1) CN (CC1CN (CC1) C (=O) NCCCCC) Cc1sc (cc1) [N+] (=O) [O-]) Cl
Molecular Formula
C23H31ClN4O3S
Molecular Weight
479.04
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3-[[ (4-chlorophenyl) methyl-[ (5-nitrothiophen-2-yl) methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide

Chemical Information

3-((((4-Chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-N-pentyl-1-pyrrolidinecarboxamide

SR-9011 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 Number1379686-29-9
PubChem CID57394021
IUPAC Name3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]-N-pentylpyrrolidine-1-carboxamide
Molecular FormulaC23H31ClN4O3S
Molecular Weight479.0
XLogP5.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity600
SMILES
CCCCCNC(=O)N1CCC(C1)CN(CC2=CC=C(C=C2)Cl)CC3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)
InChIKey
PPUYOYQTTWJTIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((((4-Chlorophenyl)methyl)((5-nitro-2-thienyl)methyl)amino)methyl)-N-pentyl-1-pyrrolidinecarboxamide
CAS: 1379686-29-9
CID: 57394021
Formula: C23H31ClN4O3S
MW: 479.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.0
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass478.1805397
Monoisotopic Mass478.1805397
Topological Polar Surface Area110 Ų
Heavy Atom Count32
Formal Charge0
Complexity600
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

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