Products for Research Use Only

SI-2 (hydrochloride) (Standard)

CAT: 0804-HY-101447ARSize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-101447ARSize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
SI-2 (hydrochloride) (Standard) is the analytical standard of SI-2 (hydrochloride). This product is intended for research and analytical applications. SI-2 (EPH 116 hydrochloride) is a highly promising SRC-3 inhibitor (PPI). SI-2 (EPH 116 hydrochloride) has a much improved toxicity and pharmacokinetic profile, with acceptable oral availability[1].
CAS Number
1992052-49-9
Target
Estrogen Receptor/ERR; Reference Standards
Related Pathways
Others; Vitamin D Related/Nuclear Receptor
Field of Research
Cancer
Smiles
CN1C(N/N=C(C)/C2=CC=CC=N2)=NC3=CC=CC=C13.Cl
Molecular Formula
C15H16ClN5
Molecular Weight
301.77
References & Citations
[1]Song X, et al. Development of potent small-molecule inhibitors to drug the undruggable steroid receptor coactivator-3. Proc Natl Acad Sci U S A. 2016 May 3;113 (18) :4970-5.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

SI-2 hydrochloride
CAS Number1992052-49-9
PubChem CID121513909
IUPAC Name1-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;hydrochloride
Molecular FormulaC15H16ClN5
Molecular Weight301.77
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
C/C(=N\NC1=NC2=CC=CC=C2N1C)/C3=CC=CC=N3.Cl
InChI
InChI=1S/C15H15N5.ClH/c1-11(12-7-5-6-10-16-12)18-19-15-17-13-8-3-4-9-14(13)20(15)2;/h3-10H,1-2H3,(H,17,19);1H/b18-11+;
InChIKey
CDYJHORKRVKALB-NWBUNABESA-N
Chemical Structure
2D Structure
2D structure of SI-2 hydrochloride
CAS: 1992052-49-9
CID: 121513909
Formula: C15H16ClN5
MW: 301.77
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight301.77
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass301.1094232
Monoisotopic Mass301.1094232
Topological Polar Surface Area55.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Popular Products