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2BAct

CAT: 0804-HY-125021-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-125021-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2BAct is a highly selective, and orally active eIF2B (eukaryotic initiation factor 2B) activator with an EC50 of 33 nM. 2BAct prevents neurological defects caused by a chronic integrated stress response. 2BAct is able to penetrate the central nervous system (CNS). 2BAct displays improved solubility and pharmacokinetics relative to eIF2B activator ISRIB trans-isomer.
CAS Number
2143542-28-1
UNSPSC
12352005
Target
Eukaryotic Initiation Factor (eIF)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/2bact.html
Purity
99.77
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C(C=N1)=NC=C1C(F)F)NC(C2)(C3)CC23NC(COC(C=C4)=CC(F)=C4Cl)=O
Molecular Formula
C19H16ClF3N4O3
Molecular Weight
440.80
References & Citations
[1]Wong YL, et al. eIF2B activator prevents neurological defects caused by a chronic integrated stress response. Elife. 2019;8:e42940. Published 2019 Jan 9.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EIF2

Chemical Information

N-(3-(2-(4-Chloro-3-fluorophenoxy)acetamido)bicyclo[1.1.1]pentan-1-yl)-5-(difluoromethyl)pyrazine-2-carboxamide
CAS Number2143542-28-1
PubChem CID132091799
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(difluoromethyl)pyrazine-2-carboxamide
Molecular FormulaC19H16ClF3N4O3
Molecular Weight440.8
XLogP2.2
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity666
SMILES
C1C2(CC1(C2)NC(=O)C3=NC=C(N=C3)C(F)F)NC(=O)COC4=CC(=C(C=C4)Cl)F
InChI
InChI=1S/C19H16ClF3N4O3/c20-11-2-1-10(3-12(11)21)30-6-15(28)26-18-7-19(8-18,9-18)27-17(29)14-5-24-13(4-25-14)16(22)23/h1-5,16H,6-9H2,(H,26,28)(H,27,29)
InChIKey
HYQJXXCYOYRNMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-(2-(4-Chloro-3-fluorophenoxy)acetamido)bicyclo[1.1.1]pentan-1-yl)-5-(difluoromethyl)pyrazine-2-carboxamide
CAS: 2143542-28-1
CID: 132091799
Formula: C19H16ClF3N4O3
MW: 440.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.8
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass440.0863026
Monoisotopic Mass440.0863026
Topological Polar Surface Area93.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity666
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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