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SI-2 (hydrochloride)

CAT: 0804-HY-101447A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101447A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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
Product Name Alternative
EPH 116 (hydrochloride)
UNSPSC
12352005
Hazard Statement
H302, H315, H319
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/si-2-hydrochloride.html
Purity
98.06
Solubility
DMSO : 5 mg/mL (ultrasonic)
Smiles
CN1C(N/N=C(C)/C2=CC=CC=N2)=NC3=CC=CC=C13.Cl
Molecular Formula
C15H16ClN5
Molecular Weight
301.77
Precautions
H302, H315, H319
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
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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

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