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Bis-T-23

CAT: 0804-HY-123572-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123572-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bis-T-23 (AG1717), tyrphostin derivative, is an HIV-I integrase inhibitor. Bis-T-23 can promote actin-dependent dynamin oligomerization. Bis-T-23 can be used for the research of HIV and chronic kidney diseases (CKD) [1][2].
CAS Number
171674-76-3
Product Name Alternative
AG1717
UNSPSC
12352005
Target
Dynamin; HIV Integrase
Type
Reference compound
Related Pathways
Cytoskeleton; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection; Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/bis-t-23.html
Purity
96.07
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(/C(C#N)=C/C1=CC(O)=C(C(O)=C1)O)NCCCNC(/C(C#N)=C/C2=CC(O)=C(C(O)=C2)O)=O
Molecular Formula
C23H20N4O8
Molecular Weight
480.43
References & Citations
[1]Schiffer M, et al. Pharmacological targeting of actin-dependent dynamin oligomerization ameliorates chronic kidney disease in diverse animal models. Nat Med. 2015;21 (6) :601-609.|[2]Mazumder, A., et al. Effects of Tyrphostins, Protein Kinase Inhibitors, on Human Immunodeficiency Virus Type 1 Integrase. Biochemistry, 1995, 34 (46), 15111–15122.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CAS Number171674-76-3
PubChem CID5468833
IUPAC Name(E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
Molecular FormulaC23H20N4O8
Molecular Weight480.4
XLogP1.1
Topological Polar Surface Area227
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity834
SMILES
C1=C(C=C(C(=C1O)O)O)/C=C(/C(=O)NCCCNC(=O)/C(=C/C2=CC(=C(C(=C2)O)O)O)/C#N)\C#N
InChI
InChI=1S/C23H20N4O8/c24-10-14(4-12-6-16(28)20(32)17(29)7-12)22(34)26-2-1-3-27-23(35)15(11-25)5-13-8-18(30)21(33)19(31)9-13/h4-9,28-33H,1-3H2,(H,26,34)(H,27,35)/b14-4+,15-5+
InChIKey
AAPVOSBVTLGGOU-VHUAAIQRSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-cyano-N-[3-[[(E)-2-cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(3,4,5-trihydroxyphenyl)prop-2-enamide
CAS: 171674-76-3
CID: 5468833
Formula: C23H20N4O8
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
XLogP31.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass480.12811361
Monoisotopic Mass480.12811361
Topological Polar Surface Area227 Ų
Heavy Atom Count35
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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