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HC-5404

CAT: 0931-T86545-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T86545-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2247396-91-2
Target
PERK
Related Pathways
Apoptosis
Purity
0.9933
Bioactivity
HC-5404 is a novel, potent and highly selective PERK (Protein kinase RNA-like Endoplasmic Reticulum Kinase) inhibitor, blocking the activation of the PERK pathway, which in turn inhibits the endoplasmic reticulum stress response signaling pathway, thereby exerting anti-tumor effects, and can be used to treat advanced solid tumors and renal cell Cancer.
Smiles
CC1=C(C=2C=C(C(NC(C)C)=O)C(N)=NC2)C=CC(NC([C@H](O)C3=CC(F)=CC(F)=C3)=O)=C1
Molecular Formula
C24H24F2N4O3
Molecular Weight
454.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 142459303
CAS Number2247396-91-2
PubChem CID142459303
IUPAC Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
Molecular FormulaC24H24F2N4O3
Molecular Weight454.5
XLogP3.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity672
SMILES
CC1=C(C=CC(=C1)NC(=O)[C@@H](C2=CC(=CC(=C2)F)F)O)C3=CC(=C(N=C3)N)C(=O)NC(C)C
InChI
InChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1
InChIKey
BRIWRAFDHZTJPE-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of CID 142459303
CAS: 2247396-91-2
CID: 142459303
Formula: C24H24F2N4O3
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass454.18164696
Monoisotopic Mass454.18164696
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity672
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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