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MHTT-IN-2

CAT: 0804-HY-156103-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-156103-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MHTT-IN-2 (compound 27) is a potent inhibitor (EC50=0.066 μM) of mutant huntingtin (mHTT) . mHTT-IN-2 reduces canonical splicing of HTT RNA exons [49-50] and is a splicing regulator of the huntingtin (HTT) gene. mHTT-IN-2 exhibits inhibitory activity in vitro and in vivo in human HD stem cells and mouse BACHD models. mHTT-IN-2 may be used in the study of branaplam-related peripheral neuropathy[1].
CAS Number
2743336-70-9
UNSPSC
12352005
Target
Huntingtin
Type
Reference compound
Related Pathways
Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mhtt-in-2.html
Purity
99.35
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
FC1=CC(NC(C2=NC=C(N3C[C@@H](CC3)NC4CC4)N=C2)=O)=CN5C1=NC(C)=C5
Molecular Formula
C20H22FN7O
Molecular Weight
395.43
References & Citations
[1]Liu L, et al. Identification and Optimization of RNA-Splicing Modulators as Huntingtin Protein-Lowering Agents for the Treatment of Huntington's Disease. J Med Chem. 2023 Sep 15.. .
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

mHTT-IN-2
CAS Number2743336-70-9
PubChem CID166508076
IUPAC Name5-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxamide
Molecular FormulaC20H22FN7O
Molecular Weight395.4
XLogP2.1
Topological Polar Surface Area87.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity605
SMILES
CC1=CN2C=C(C=C(C2=N1)F)NC(=O)C3=CN=C(C=N3)N4CC[C@H](C4)NC5CC5
InChI
InChI=1S/C20H22FN7O/c1-12-9-28-11-15(6-16(21)19(28)24-12)26-20(29)17-7-23-18(8-22-17)27-5-4-14(10-27)25-13-2-3-13/h6-9,11,13-14,25H,2-5,10H2,1H3,(H,26,29)/t14-/m1/s1
InChIKey
VPWHAEPYJSEFEH-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of mHTT-IN-2
CAS: 2743336-70-9
CID: 166508076
Formula: C20H22FN7O
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass395.18698651
Monoisotopic Mass395.18698651
Topological Polar Surface Area87.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity605
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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