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YK5

CAT: 0013-GTR19198515-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198515-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YK5 is a novel small-molecule allosteric inhibitor targeting the Hsp70 protein. It serves as a unique chemical probe for investigating Hsp70-associated cellular mechanisms in both in vitro biochemical assays and in vivo disease model studies, including cancer and neurodegeneration research.
CAS Number
1268273-23-9
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Smiles
S (C=1C (OC) =NC (=NC1OC) N2CCN (C) CC2) C=3N=C (NC (C=C) =O) C=C (N) N3
Molecular Formula
C18H24N8O3S
Molecular Weight
432.50
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[2-[[2-(4-Methylpiperazino)-4,6-dimethoxypyrimidine-5-yl]thio]-6-aminopyrimidine-4-yl]acrylamide
CAS Number1268273-23-9
PubChem CID66973894
IUPAC NameN-[6-amino-2-[4,6-dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide
Molecular FormulaC18H24N8O3S
Molecular Weight432.5
XLogP1.5
Topological Polar Surface Area157
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
CN1CCN(CC1)C2=NC(=C(C(=N2)OC)SC3=NC(=CC(=N3)NC(=O)C=C)N)OC
InChI
InChI=1S/C18H24N8O3S/c1-5-13(27)21-12-10-11(19)20-18(22-12)30-14-15(28-3)23-17(24-16(14)29-4)26-8-6-25(2)7-9-26/h5,10H,1,6-9H2,2-4H3,(H3,19,20,21,22,27)
InChIKey
ZYAVZIQPWICPQI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[[2-(4-Methylpiperazino)-4,6-dimethoxypyrimidine-5-yl]thio]-6-aminopyrimidine-4-yl]acrylamide
CAS: 1268273-23-9
CID: 66973894
Formula: C18H24N8O3S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass432.16920783
Monoisotopic Mass432.16920783
Topological Polar Surface Area157 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
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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