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JAK/HDAC-IN-1

CAT: 1410-M24039-01Size: 1 EachDry Ice: NoHazardous: No
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Description
JAK/HDAC-IN-1 is an effective JAK2/HDAC dual inhibitor (IC50s: 4 and 2 nM for JAK2 and HDAC) . It also shows antiproliferative and proapoptotic activities in several hematological cell lines.
CAS Number
2284621-75-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
450.32
Molecular Formula
C19H21Cl2N7O2
Notes
Research use only, not for human use.
Receptor
HDAC|HDAC2|HDAC6|HDAC8|JAK1|JAK2|JAK3|Tyk2

Chemical Information

Jak/hdac-IN-1
CAS Number2284621-75-4
PubChem CID138377596
IUPAC Name6-[4-[[5-chloro-4-(4-chloroanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-hydroxyhexanamide
Molecular FormulaC19H21Cl2N7O2
Molecular Weight450.3
XLogP3.3
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity525
SMILES
C1=CC(=CC=C1NC2=NC(=NC=C2Cl)NC3=CN(N=C3)CCCCCC(=O)NO)Cl
InChI
InChI=1S/C19H21Cl2N7O2/c20-13-5-7-14(8-6-13)24-18-16(21)11-22-19(26-18)25-15-10-23-28(12-15)9-3-1-2-4-17(29)27-30/h5-8,10-12,30H,1-4,9H2,(H,27,29)(H2,22,24,25,26)
InChIKey
MTOQNLGMTJOJOF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jak/hdac-IN-1
CAS: 2284621-75-4
CID: 138377596
Formula: C19H21Cl2N7O2
MW: 450.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.3
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass449.1133783
Monoisotopic Mass449.1133783
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity525
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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