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HaXS8

CAT: 0804-HY-131015-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-131015-03Size:5 mg
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Description
HaXS8 is a dimerizer that can promote a covalent and irreversible intracellular dimerization of HaloTag and SNAP-tagged proteins of interest. HaXS8 does not interfere with PI3K/mTOR signaling[1][2].
CAS Number
2080306-25-6
UNSPSC
12352005
Target
Biochemical Assay Reagents
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/haxs8.html
Purity
99.28
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
NC1=NC2=C(C(OCC3=CC=C(C=C3)CNC(COC4=C(C(F)=C(C(F)=C4F)OCCOCCOCCOCCOCCCCCCCl)F)=O)=N1)N=CN2
Molecular Formula
C35H43ClF4N6O8
Molecular Weight
787.20
References & Citations
[1]Erhart D, et, al. Chemical development of intracellular protein heterodimerizers. Chem Biol. 2013 Apr 18; 20 (4) : 549-57.|[2]Saha I, et, al. Dynamics of the HIV Gag Lattice Detected by Localization Correlation Analysis and Time-Lapse iPALM. Biophys J. 2020 Aug 4; 119 (3) : 581-592.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[[4-[[(2-Amino-9-H-purin-6-yl)oxy]methyl]phenyl]methyl]-2-[4-[(18-chloro-3,6,9,12-tetraoxaoctadec-1yl)oxy]-2,3,5,6-tetrafluorophenoxy]acetamide
CAS Number2080306-25-6
PubChem CID124201846
IUPAC NameN-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methyl]-2-[4-[2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3,5,6-tetrafluorophenoxy]acetamide
Molecular FormulaC35H43ClF4N6O8
Molecular Weight787.2
XLogP4.2
Topological Polar Surface Area174
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Heavy Atom Count54
Formal Charge0
Complexity1010
SMILES
C1=CC(=CC=C1CNC(=O)COC2=C(C(=C(C(=C2F)F)OCCOCCOCCOCCOCCCCCCCl)F)F)COC3=NC(=NC4=C3NC=N4)N
InChI
InChI=1S/C35H43ClF4N6O8/c36-9-3-1-2-4-10-48-11-12-49-13-14-50-15-16-51-17-18-52-31-26(37)28(39)32(29(40)27(31)38)53-21-25(47)42-19-23-5-7-24(8-6-23)20-54-34-30-33(44-22-43-30)45-35(41)46-34/h5-8,22H,1-4,9-21H2,(H,42,47)(H3,41,43,44,45,46)
InChIKey
OHHUCZCSUXJJFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-[[(2-Amino-9-H-purin-6-yl)oxy]methyl]phenyl]methyl]-2-[4-[(18-chloro-3,6,9,12-tetraoxaoctadec-1yl)oxy]-2,3,5,6-tetrafluorophenoxy]acetamide
CAS: 2080306-25-6
CID: 124201846
Formula: C35H43ClF4N6O8
MW: 787.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.2
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Exact Mass786.2767027
Monoisotopic Mass786.2767027
Topological Polar Surface Area174 Ų
Heavy Atom Count54
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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