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SRI-37330 HCl

CAT: 0957-E1272-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1272-5mgSize:5 mg
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CAS Number
2322245-49-6
Synonyms
EX-A5854
Target
Others
Applications
Others
Molecular Formula
C16H19F3N4O2S.ClH
Additionnal Information
SRI-37330 HCl (EX-A5854), an anti-diabetic drug, is an orally bioavailable inhibitor of thioredoxin-interacting protein (TXNIP), with an IC50 of 0.64 μM for TXNIP expression in INS-1 cells. Its treatment inhibits glucagon secretion and function, decreases hepatic glucose production, and reverses hepatic steatosis.

Chemical Information

SRI-37330 hydrochloride
CAS Number2322245-49-6
PubChem CID153319520
IUPAC NameN-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
Molecular FormulaC16H20ClF3N4O2S
Molecular Weight424.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity581
SMILES
CS(=O)(=O)NCC1CCCN(C1)C2=NC=NC3=C2C=C(C=C3)C(F)(F)F.Cl
InChI
InChI=1S/C16H19F3N4O2S.ClH/c1-26(24,25)22-8-11-3-2-6-23(9-11)15-13-7-12(16(17,18)19)4-5-14(13)20-10-21-15;/h4-5,7,10-11,22H,2-3,6,8-9H2,1H3;1H
InChIKey
SIWGSSRKYJTJTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SRI-37330 hydrochloride
CAS: 2322245-49-6
CID: 153319520
Formula: C16H20ClF3N4O2S
MW: 424.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass424.0947592
Monoisotopic Mass424.0947592
Topological Polar Surface Area83.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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