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(R) -JAK2/STAT3-IN-10a

CAT: 1410-M36472-01Size: 1 EachDry Ice: NoHazardous: No
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Description
(R) -JAK2/STAT3-IN-10a is the R-isomer of JAK2/STAT3-IN-1.JAK2/STAT3-IN-1 is a GP130 D1 structural domain inhibitor with antitumor activity that inhibits the phosphorylation of JAK2 and STAT3. The KD value of (R) -JAK2/STAT3-IN-1 on GP130 protein is 3.8 μM.
CAS Number
2485758-49-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
682.57
Molecular Formula
C34H35BrF3N5O2
Notes
Research use only, not for human use.
Receptor
Antiviral

Chemical Information

(R)-JAK2/STAT3-IN-10a
CAS Number2485758-49-2
PubChem CID162676817
IUPAC Name(3R)-3-[1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-bromoindol-3-yl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
Molecular FormulaC34H35BrF3N5O2
Molecular Weight682.6
XLogP6.6
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
C1CCCN(CC1)CCOC2=CC=C(C=C2)CN3C=C(C4=C3C=CC(=C4)Br)[C@H]5CC(=NN5C(=O)N)C6=CC=C(C=C6)C(F)(F)F
InChI
InChI=1S/C34H35BrF3N5O2/c35-26-11-14-31-28(19-26)29(32-20-30(40-43(32)33(39)44)24-7-9-25(10-8-24)34(36,37)38)22-42(31)21-23-5-12-27(13-6-23)45-18-17-41-15-3-1-2-4-16-41/h5-14,19,22,32H,1-4,15-18,20-21H2,(H2,39,44)/t32-/m1/s1
InChIKey
ZTVCCTBSOVIZBK-JGCGQSQUSA-N
Chemical Structure
2D Structure
2D structure of (R)-JAK2/STAT3-IN-10a
CAS: 2485758-49-2
CID: 162676817
Formula: C34H35BrF3N5O2
MW: 682.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight682.6
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass681.19262
Monoisotopic Mass681.19262
Topological Polar Surface Area76.1 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
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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