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BSP16

CAT: 0804-HY-151264-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-151264-01Size:500 µg
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Description
BSP16 is a potent, orally active stimulator of interferon genes (STING) agonist. BSP16 can selectively stimulate the STING pathway. BSP16 can be used for the research of cancer[1].
CAS Number
2727249-47-8
UNSPSC
12352005
Target
STING
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bsp16.html
Purity
98.3
Solubility
10 mM in DMSO
Smiles
OC([C@H](CC)CC(C1=CC2=CC(OC)=C(OC)C=C2[Se]1)=O)=O
Molecular Formula
C16H18O5Se
Molecular Weight
369.27
References & Citations
[1]Xi Feng, et al. Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents. J Med Chem. 2022 Sep 7.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid
CAS Number2727249-47-8
PubChem CID164946677
IUPAC Name(2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxobutanoic acid
Molecular FormulaC16H18O5Se
Molecular Weight369.3
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
CC[C@H](CC(=O)C1=CC2=CC(=C(C=C2[Se]1)OC)OC)C(=O)O
InChI
InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1
InChIKey
BWQHPFYQJHFPHN-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid
CAS: 2727249-47-8
CID: 164946677
Formula: C16H18O5Se
MW: 369.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight369.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass370.03195
Monoisotopic Mass370.03195
Topological Polar Surface Area72.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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